SCHEMBL7411640

SCHEMBL7411640

CCCCC(=O)Cc1cc(C)cnc1NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.33
SREBF2 Q12772 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CYP2C9 P11712 2/20 0.33
SLC13A5 Q86YT5 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
RORC P51449 1/20 0.33
PTGER1 P34995 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL7411279 0.88 SYK (0.36) MAPKAPK2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL7419909 0.81 METAP1 (0.39) CYP3A4KDM4EALDH1A1HPGDCNR2
SCHEMBL7410155 0.76 LMNA (0.39) CYP3A4CYP2C19KDM4ELMNACNR2
SCHEMBL7416577 0.75 LCK (0.45) MAPKAPK2RORCLCK
SCHEMBL7415159 0.74 STK17B (0.36) MAPKAPK2HPGDCNR2SREBF2STK17B
SCHEMBL7408740 0.73 METAP1 (0.40) CYP3A4KDM4EALDH1A1HPGDSREBF2
SCHEMBL8292635 0.72 CYP1A2 (0.43) CYP2C19LMNAMAPTHPGDSMN1; SMN2
SCHEMBL15599330 0.72 SYK (0.42) MAPKAPK2RORCLCK
SCHEMBL30850163 0.71 ATR (0.39) MAPKAPK2RORCLCK
SCHEMBL7411293 0.71 ATR (0.38) CYP3A4CYP2C19KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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