SCHEMBL11013370

SCHEMBL11013370

CC(=O)OCCCCc1ccc2[nH]c(C)c(C(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
PTPN5 P54829 1/20 0.41
ALDH1A1 P00352 4/20 0.40
APEX1 P27695 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
THRB P10828 1/20 0.40
TBXAS1 P24557 1/20 0.40
PSMD14 O00487 1/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SERPINE1 P05121 1/20 0.38
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37

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
SCHEMBL6316946 0.78 GAA (0.42) GAAPTPN5ALDH1A1APEX1KDM4E
SCHEMBL6323296 0.74 GAA (0.43) GAAPTPN5ALDH1A1APEX1KDM4E
SCHEMBL6316703 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTBXAS1MAPT
SCHEMBL6315167 0.71 KDM4E (0.50) GAAPTPN5ALDH1A1KDM4EHPGD
SCHEMBL6317347 0.71 KMT2A (0.47) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL6321131 0.71 GAA (0.52) GAAALDH1A1KDM4EHPGDMAPT
SCHEMBL27084638 0.71 TNKS2 (0.43) ALDH1A1
SCHEMBL16673001 0.70 CTDSP1 (0.50) ALDH1A1KDM4ETDP1LMNA
SCHEMBL18932673 0.70 ALDH1A1 (0.59) GAAALDH1A1KDM4EHPGDTHRB
SCHEMBL15901872 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137163-A2 3-Indolecarboxamide derivatives Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-04-17 EP disclosed