SCHEMBL11020189

SCHEMBL11020189

CCOC(=O)c1c(C)c(C(=O)c2ccc(Cl)c(Cl)c2)n(C)c1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
PTGS2 P35354 1/20 0.41
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
ALOX5 P09917 2/20 0.37
PTGES O14684 1/20 0.37
SRD5A2 P31213 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NOTUM Q6P988 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 2/20 0.36
GABRA2 P47869 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
SCHEMBL10923503 0.83 KMT2A (0.46) KMT2AUSP2ABCB11PTGS2TSHR
SCHEMBL7682322 0.79 THRB (0.48) KMT2AUSP2ABCB11PTGS2THRB
SCHEMBL11084402 0.77 USP2 (0.52) KMT2AUSP2THRBTSHRLMNA
SCHEMBL7683947 0.77 PTGS2 (0.50) KMT2AUSP2ABCB11PTGS2THRB
SCHEMBL7678485 0.76 KMT2A (0.48) KMT2AUSP2PTGS2THRBTSHR
SCHEMBL7684715 0.76 LMNA (0.42) KMT2AABCB11PTGS2THRBLMNA
SCHEMBL10920481 0.74 TSHR (0.47) KMT2AUSP2TSHRLMNAMEN1
SCHEMBL7675435 0.74 PTGS2 (0.57) KMT2AABCB11PTGS2THRBTSHR
SCHEMBL11015971 0.74 SRD5A2 (0.50) KMT2AUSP2ABCB11PTGS2THRB
SCHEMBL7678256 0.72 PTGS2 (0.46) KMT2AUSP2ABCB11PTGS2THRB

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-0152542-A1 Pyrrol-3-carboxylic acids having central analgesic activity POLI INDUSTRIA CHIMICA S.p.A. (IT) 1985-08-28 EP disclosed