SCHEMBL4352847

SCHEMBL4352847

CCC(=O)OCCc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.56
AKR1B1 P15121 2/20 0.46
AKR1B10 O60218 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
HTR1A P08908 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
IAPP P10997 1/20 0.42
HSPA5 P11021 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL24798942 0.87 TYR (0.54) TYRAKR1B1AKR1B10KDM4ECYP4F2
SCHEMBL7640528 0.84 NAAA (0.58) KDM4E
SCHEMBL10701759 0.83 DGKA (0.57) TYRCYP4F2CYP4A11IAPP
SCHEMBL16672986 0.83 ALOX5 (0.47) KDM4ECYP4F2CYP4A11TAAR1TDP1
SCHEMBL29122249 0.82 TYR (0.59) TYRAKR1B1AKR1B10HTR1ATAAR1
SCHEMBL27345802 0.82 IDO1 (0.50) TYRAKR1B1KDM4ECYP4F2CYP4A11
SCHEMBL27485557 0.81 KDM4E (0.44) TYRKDM4ECYP4F2CYP4A11TDP1
SCHEMBL27610406 0.81 TAAR1 (0.47) KDM4ECYP4F2CYP4A11TAAR1TDP1
SCHEMBL28793928 0.81 KDM4E (0.44) TYRKDM4ECYP4F2CYP4A11TDP1
SCHEMBL14360800 0.80 CYP4F2 (0.58) TYRKDM4ECYP4F2CYP4A11HTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210177023-A1 COMPOUNDS FOR SWEETNESS ENHANCEMENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2021-06-17 US claimed
EP-0102193-B1 STABILIZERS FOR SYNTHETIC RESINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-10-29 EP claimed
CN-116786044-A Composite core wall microcapsule and preparation method and application thereof 广州立白企业集团有限公司 2023-09-22 CN disclosed
US-20210177023-A1 COMPOUNDS FOR SWEETNESS ENHANCEMENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2021-06-17 US disclosed
US-20090312478-A1 VINYL CHLORIDE RESIN COMPOSITION ADEKA CORPORATION (JP) 2009-12-17 US disclosed