SCHEMBL7414670

SCHEMBL7414670

Cc1cccc(F)c1CC(C)(C)NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SSTR4 P31391 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ANO1 Q5XXA6 1/20 0.36
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
NPC1 O15118 2/20 0.35
HDAC4 P56524 1/20 0.35
RAB9A P51151 1/20 0.35
CXCR5 P32302 2/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL8802782 0.89 ALDH1A1 (0.42) POLBATMALDH1A1CYP3A4CYP2C9
SCHEMBL12870195 0.76 ACHE (0.44) POLBATMALDH1A1SMN1; SMN2KDM4E
SCHEMBL7408911 0.73 SSTR4 (0.59) POLBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28153560 0.73 KDM4E (0.50) ALDH1A1CYP3A4CYP2C19SMN1; SMN2KDM4E
SCHEMBL4374632 0.73 GUCY1B2 (0.36) POLBSMN1; SMN2ANO1GUCY1B2GUCY1A2
SCHEMBL24105728 0.72 ACHE (0.44) ATMALDH1A1SMN1; SMN2KDM4EACHE
SCHEMBL5948337 0.71 CYP3A4 (0.67) POLBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19020227 0.70 FFAR1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9718295 0.70 KDM4E (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL20889265 0.70 SLC7A5 (0.47) ALDH1A1CYP2C9CYP2C19

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
EP-0640080-B1 SUBSTITUTED INDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX INC (US) 1997-10-22 EP disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed