SCHEMBL2575989

SCHEMBL2575989

NC(=O)OCc1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
AKR1B1 P15121 1/20 0.50
HSPA5 P11021 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TYR P14679 1/20 0.42
KEAP1 Q14145 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYBB P04839 1/20 0.42
LMNA P02545 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29501710 0.87 SMN1; SMN2 (0.48) IDO1CYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL3468892 0.85 IDO1 (0.55) IDO1AKR1B1HSPA5TAAR1CYP2D6
SCHEMBL1011357 0.83 IDO1 (0.57) IDO1AKR1B1HSPA5TAAR1CYP2D6
SCHEMBL1011358 0.82 AKR1B1 (0.57) IDO1AKR1B1HSPA5TAAR1CYP2D6
SCHEMBL5932257 0.82 IDO1 (0.55) IDO1AKR1B1HSPA5TAAR1CYP2D6
SCHEMBL9855769 0.81 IDO1 (0.55) IDO1AKR1B1HSPA5TAAR1CYP2D6
SCHEMBL28561113 0.81 TYR (0.59) IDO1AKR1B1HSPA5TAAR1CYP2D6
SCHEMBL446689 0.80 SMN1; SMN2 (0.43) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL11064859 0.80 IDO1 (0.53) IDO1AKR1B1HSPA5TAAR1CYP2D6
SCHEMBL5933691 0.80 IDO1 (0.53) IDO1AKR1B1HSPA5TAAR1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103298602-A Method for making silicone hydrogel contact lenses NOVARTIS AG 2013-09-11 CN claimed
CN-101641206-B Prepolymers having polymer chains containing dangling polysiloxanes NOVARTIS AG 2013-03-20 CN claimed
CN-101065157-B Biomedical devices containing amphiphilic block copolymers JOHNSON & JOHNSON VISION CARE 2012-01-04 CN claimed
CN-101641206-A Prepolymers having polymer chains containing dangling polysiloxanes NOVARTIS AG CH 2010-02-03 CN claimed
CN-100578263-C Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE 2010-01-06 CN claimed
CN-101065686-A Wettable hydrogels containing reactive hydrophilic polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE (US) 2007-10-31 CN claimed
CN-101065157-A Biomedical devices containing amphiphilic block copolymers JOHNSON & JOHNSON VISION CARE (US) 2007-10-31 CN claimed
CN-112159401-B Biased agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-06-03 CN disclosed
CN-112159401-A Biased agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2021-01-01 CN disclosed
CN-103998230-A Gas barrier film KONICA MINOLTA INC 2014-08-20 CN disclosed
EP-2751076-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES Spirogen Sàrl (CH) 2014-07-09 EP disclosed
CN-103777254-A Method for manufacturing soft siloxane hydrogel contact lens NOVARTIS AG 2014-05-07 CN disclosed
CN-102239431-B Ophthalmic device for providing hydrophobic comfort agents NOVARTIS AG 2014-03-19 CN disclosed
CN-101065686-A Wettable hydrogels containing reactive hydrophilic polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE (US) 2007-10-31 CN disclosed
CN-101005822-A Oily cosmetic preparation SHISEIDO CO LTD (JP) 2007-07-25 CN disclosed
CN-1976692-A Methods and compositions for treating ophthalmic conditions with retinyl derivates SIRION THERAPEUTICS INC (US) 2007-06-06 CN disclosed
CN-1902250-A Dibenzosilol polymers, their preparation and uses CAMBRIDGE DISPLAY TECH LTD (GB) 2007-01-24 CN disclosed
CN-1289157-C Biomedical devices containing internal wetting agents JOHNSON & JOHNSON VISION CARE (US) 2006-12-13 CN disclosed
CN-1635915-A Biomedical devices containing internal wetting agents JOHNSON & JOHNSON VISION CARE (US) 2005-07-06 CN disclosed
US-5561119-A ANTITUMOR AGENTS LABORATOIRES HOECHST (FR) 1996-10-01 US disclosed