SCHEMBL11095166

SCHEMBL11095166

COCCCCCCc1cccc(OCc2cccc(C(=O)OC)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.63
CYP4F2 P78329 2/20 0.60
CYP4A11 Q02928 2/20 0.60
SMPD1 P17405 1/20 0.52
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.47
PPARG P37231 1/20 0.47

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
SCHEMBL11098354 0.90 MRGPRX4 (0.60) MRGPRX4CYP4F2CYP4A11SMPD1ALDH1A1
SCHEMBL11094436 0.89 CYP4A11 (0.76) MRGPRX4CYP4F2CYP4A11SMPD1ALDH1A1
SCHEMBL10923937 0.81 MRGPRX4 (0.50) MRGPRX4CYP4F2CYP4A11SMPD1LMNA
SCHEMBL10411878 0.81 MRGPRX4 (0.77) MRGPRX4SMPD1LOXL2CYSLTR1
SCHEMBL11097936 0.80 CYP4A11 (0.64) MRGPRX4CYP4F2CYP4A11SMPD1RAB9A
SCHEMBL15061218 0.80 MRGPRX4 (0.63) MRGPRX4CYP4F2CYP4A11SMPD1ALDH1A1
SCHEMBL1122805 0.80 MRGPRX4 (0.71) MRGPRX4SMPD1LMNACYSLTR1
SCHEMBL10659025 0.79 MRGPRX4 (0.74) MRGPRX4
SCHEMBL28231008 0.79 CYP4F2 (0.69) MRGPRX4CYP4F2CYP4A11SMN1; SMN2TP53
SCHEMBL3489393 0.78 ALDH1A1 (0.56) MRGPRX4SMPD1ALDH1A1KDM4EGAA

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-0110405-A2 Antiinflammatory/antiallergic compounds RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1984-06-13 EP disclosed