SCHEMBL8322152

SCHEMBL8322152

COC(=O)c1c(C(=O)O)[nH]c2c(C)ccc(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
MCL1 Q07820 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
RPA1 P27694 1/20 0.39
NGFR P08138 1/20 0.39

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
SCHEMBL8324480 0.90 NR4A2 (0.41) LMNACYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL8319604 0.88 LMNA (0.40) LMNAKMT2AKDM4EALDH1A1MAPT
SCHEMBL8320338 0.84 RAB9A (0.44) LMNACYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL8323736 0.81 NPSR1 (0.41) LMNACYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL8320679 0.79 LMNA (0.42) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL8322193 0.79 CYP1A2 (0.37) LMNACYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL8318534 0.78 KDM4E (0.46) CYP1A2CYP3A4CYP2C19KMT2AKDM4E
SCHEMBL3599703 0.76 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19KMT2AKDM4E
SCHEMBL8326080 0.76 CYP1A2 (0.40) LMNACYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL8324886 0.76 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19KMT2AKDM4E

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
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed