SCHEMBL8041280

SCHEMBL8041280

O=C(O)c1cc(Cl)ccc1NC(=O)C(Oc1ccc(OC2CCCCCCC2)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.46
PRSS12 P56730 2/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL8027780 0.88 ABCC1 (0.47) KDM4EHSD17B10KMT2AALDH1A1L3MBTL1
SCHEMBL8038300 0.88 ABCC1 (0.45) KDM4EKMT2AALDH1A1NPSR1ADRB1
SCHEMBL8039543 0.88 ABCC1 (0.45) KDM4EKMT2AALDH1A1NPSR1ADRB1
SCHEMBL8039714 0.88 ABCC1 (0.45) KDM4EKMT2AALDH1A1NPSR1ADRB1
SCHEMBL8039706 0.88 ABCC1 (0.45) KDM4EKMT2AALDH1A1NPSR1ADRB1
SCHEMBL8039687 0.87 SRD5A1 (0.43) KDM4EKMT2AALDH1A1NPSR1ADRB1
SCHEMBL8037924 0.81 TSHR (0.54) KDM4EHSD17B10KMT2AALDH1A1NPSR1
SCHEMBL8041066 0.81 TSHR (0.54) KDM4EHSD17B10KMT2AALDH1A1NPSR1
SCHEMBL8037972 0.81 ALDH1A1 (0.44) KDM4EHSD17B10KMT2AALDH1A1NPSR1
SCHEMBL8037888 0.80 TSHR (0.55) KDM4EHSD17B10KMT2AALDH1A1NPSR1

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-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed