SCHEMBL10965792

SCHEMBL10965792

CCOC(=O)c1c(C)c(C(=O)c2ccc(F)cc2)n(C)c1C(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 4/20 0.39
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
HPGD P15428 1/20 0.39
GRM6 O15303 1/20 0.38
BRAF P15056 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.36
HRH2 P25021 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
SCHEMBL11090520 0.81 TSHR (0.47) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL10881348 0.80 ABCB11 (0.41) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL11087575 0.80 USP2 (0.41) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL10923503 0.79 KMT2A (0.46) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL11090604 0.78 USP2 (0.39) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL11085390 0.78 THRB (0.39) KMT2ATSHRUSP2ALDH1A1NPSR1
SCHEMBL8608578 0.77 ABCB11 (0.44) KMT2AMEN1TSHRALDH1A1NPSR1
SCHEMBL10920481 0.76 TSHR (0.47) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL11268066 0.74 USP2 (0.44) KMT2ATSHRUSP2ALDH1A1MAPT
SCHEMBL10920459 0.69 KMT2A (0.44) KMT2AMEN1TSHRUSP2ALDH1A1

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-0168658-A1 Pyrrolecarboxylic acid derivative having analgesic activity, preparation thereof and compositions therefrom POLI INDUSTRIA CHIMICA S.p.A. (IT) 1986-01-22 EP disclosed