SCHEMBL9075287

SCHEMBL9075287

Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCCSc1ccc(NC(=O)c3ccc(NC(=N)N)cc3)cc1)O2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
ALOX5 P09917 6/20 0.43
NR1I2 O75469 2/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
TTPA P49638 2/20 0.42
MEN1 O00255 1/20 0.42
GSTP1 P09211 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36

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
Hydrochloric Acid SCHEMBL9073561 0.99 CYP4F2 (0.43) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL9075777 0.94 ALOX5 (0.41) CYP4F2ALOX5NR1I2MAPTLMNA
Hydrochloric Acid SCHEMBL9076225 0.94 ALOX5 (0.40) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL9558915 0.93 CYP4F2 (0.49) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL9558926 0.93 CYP4F2 (0.50) CYP4F2ALOX5NR1I2MAPTLMNA
Hydrochloric Acid SCHEMBL9073383 0.93 CYP4F2 (0.48) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL9075717 0.93 CYP4F2 (0.41) CYP4F2ALOX5NR1I2MAPTLMNA
Hydrochloric Acid SCHEMBL9075322 0.92 CYP4F2 (0.40) CYP4F2ALOX5NR1I2MAPTLMNA
Hydrochloric Acid SCHEMBL9073489 0.92 CYP4F2 (0.49) CYP4F2ALOX5NR1I2MAPTLMNA
SCHEMBL9073515 0.91 CYP4F2 (0.35) CYP4F2ALOX5NR1I2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508450-A INHIBITORY EFFECT ON MAILLARD REACTION AND ANTIOXIDIZING EFFECT; TREATS OR PREVENTS DIABETIC COMPLICATIONS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-16 US claimed
EP-0387771-A2 Benzopyran derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1990-09-19 EP claimed