SCHEMBL5585189

SCHEMBL5585189

C=C(C)C(=O)Oc1ccc(C)cc1-c1cccc2[nH]nnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA2 P47869 1/20 0.35
KMT2A Q03164 4/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PDE5A O76074 1/20 0.32
MAOB P27338 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AURKA O14965 1/20 0.31
ROCK2 O75116 1/20 0.31
ERBB2 P04626 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL9741459 0.90 SMN1; SMN2 (0.41) GABRG2GABRB3GABRA2KMT2AMAPT
SCHEMBL27561443 0.87 PDE5A (0.39) KMT2APDE5AMAOBALDH1A1SMN1; SMN2
SCHEMBL27868049 0.85 TYMS (0.37) GABRG2GABRB3GABRA2KMT2AMAPT
SCHEMBL28699460 0.84 GABRG2 (0.39) GABRG2GABRB3GABRA2KMT2AMAPT
SCHEMBL818765 0.80 ELANE (0.37) KMT2AMAPTPDE5AMAOBELANE
SCHEMBL28889443 0.80 ELANE (0.38) KMT2AMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL5272876 0.76 PDE5A (0.35) KMT2AMAPTNPC1RAB9APDE5A
SCHEMBL11222168 0.76 PARP1 (0.36) GABRG2GABRB3GABRA2MAPTPOLB
SCHEMBL28926752 0.75 ELANE (0.32) ELANE
SCHEMBL456767 0.75 HPGD (0.44) KMT2AMAPTNPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114729212-A Backlit inks including encapsulated backlit colorants and related methods and writing instruments 桑福德有限合伙人公司 2022-07-08 CN claimed
CN-111836839-A Antimicrobial contact lenses 克拉梅德有限公司 2020-10-27 CN claimed
CN-110753859-A Cytostatic copolymers for use in ophthalmic implants 伊齐耶·舒埃 2020-02-04 CN claimed
US-7276544-B2 Process for manufacturing intraocular lenses with blue light absorption characteristics BAUSCH & LOMB INCORPORATED (US) 2007-10-02 US claimed
CN-114729212-A Backlit inks including encapsulated backlit colorants and related methods and writing instruments 桑福德有限合伙人公司 2022-07-08 CN disclosed
CN-111836839-A Antimicrobial contact lenses 克拉梅德有限公司 2020-10-27 CN disclosed
CN-111533668-A Cyanostilbenes 罗利克技术有限公司 2020-08-14 CN disclosed
CN-110753859-A Cytostatic copolymers for use in ophthalmic implants 伊齐耶·舒埃 2020-02-04 CN disclosed