SCHEMBL7414673

SCHEMBL7414673

Cc1cccc(F)c1N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ACHE P22303 1/20 0.36
OPRM1 P35372 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HDAC4 P56524 1/20 0.34
POLB P06746 1/20 0.34
STS P08842 1/20 0.33
ALB P02768 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8802786 0.88 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL15300179 0.72 KEAP1 (0.32) KDM4E
SCHEMBL1466259 0.72 POLB (0.34) POLBKDM4EALDH1A1HPGDMEN1
SCHEMBL6005339 0.72 TRPM8 (0.46) POLBALDH1A1MEN1KMT2A
SCHEMBL18955463 0.69 HSD17B1 (0.40) HSD17B1HSD17B2ACHEOPRM1TDP1
SCHEMBL18492823 0.69 SLC22A12 (0.33) HSD17B1HSD17B2
SCHEMBL1699332 0.69 ATR (0.36) TDP1KDM4EALDH1A1RAB9A
SCHEMBL2095529 0.69 CES2 (0.43) HSD17B1HSD17B2TDP1CES2CES1
SCHEMBL15300266 0.68 CASP6 (0.36) TDP1ALDH1A1MEN1KMT2A
SCHEMBL1812412 0.68 NR1H2 (0.43)

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