SCHEMBL9119994

SCHEMBL9119994

COc1ccc(C(=O)O)c(Oc2ccc(C(F)(F)F)cc2N)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.52
RAB9A P51151 1/20 0.52
CFTR P13569 1/20 0.50
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
PTGER1 P34995 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SORT1 Q99523 3/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL9183496 0.82 MAPT (0.51) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL9118243 0.80 L3MBTL1 (0.64) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL5539791 0.77 L3MBTL1 (0.56) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL8075204 0.75 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3833670 0.75 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL345774 0.74 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10CFTR
SCHEMBL422034 0.74 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL9188388 0.74 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL330883 0.74 L3MBTL1 (0.70) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL10978991 0.73 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10CFTR

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
WO-1995033460-A1 ANTI-INFLAMMATORY COUMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
US-5447957-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORP. (US) 1995-09-05 US disclosed