SCHEMBL7629779

SCHEMBL7629779

CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CC(COCc2ccccc2)O3)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARD Q03181 4/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
NR1H4 Q96RI1 3/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7626507 0.93 RAB9A (0.47) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL7627971 0.92 RAB9A (0.46) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL7630394 0.85 RAB9A (0.48) RAB9AMAPTLMNA
SCHEMBL7626547 0.84 RAB9A (0.47) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL7634458 0.79 RAB9A (0.42) RAB9AMAPTLMNA
SCHEMBL7625167 0.78 GPR35 (0.57)
SCHEMBL7634224 0.77 GPR35 (0.49) RAB9A
SCHEMBL7638126 0.77 GPR35 (0.45) RAB9AALDH1A1GAATSHRNPC1
SCHEMBL7628839 0.76 GPR35 (0.47) RAB9AMEN1KMT2ATP53
SCHEMBL8322381 0.76 LMNA (0.43) RAB9ATDP1LMNA

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
EP-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 EP disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 US disclosed