SCHEMBL11398658

SCHEMBL11398658

COc1ccccc1C(Sc1ccc(C(C)C#N)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 7/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 4/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11396529 0.82 ADAM17 (0.46) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL6785391 0.80 MAPT (0.49) MAPTTDP1LMNAALDH1A1KMT2A
SCHEMBL11394906 0.80 ALDH1A1 (0.42) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL11407319 0.79 LMNA (0.40) TDP1LMNAALDH1A1KMT2ANPSR1
SCHEMBL11453268 0.76 HSD17B10 (0.47) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL11402195 0.74 EPHX1 (0.45) LMNAALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL6787275 0.72 ADAM17 (0.62) MAPTTDP1LMNAALDH1A1NPSR1
SCHEMBL11402217 0.71 ATM (0.41) ALDH1A1KMT2ANPSR1SMN1; SMN2AKR1C3
SCHEMBL958232 0.71 CA1 (0.48) MAPTTDP1ALDH1A1KMT2ANPSR1
SCHEMBL30365712 0.71 CA1 (0.48) MAPTTDP1ALDH1A1KMT2ANPSR1

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
US-4282245-A ANTIINFLAMMATORY NIPPON CHEMIPHAR CO., LTD. (JP) 1981-08-04 US disclosed