SCHEMBL8000157

SCHEMBL8000157

CCCCCCCCCCCCCCCCNC(=O)/C=C/c1ccc(-c2[nH]c(-c3ccc(/C=C/C(=O)OCC)cc3)nc2-c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 8/20 0.59
▸ SELE P16581 2/20 0.59
▸ EGFR P00533 1/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.41
▸ APP P05067 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38

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
SCHEMBL8000163 1.00 SELP (0.59) SELPSELEEGFRPTPN1P2RY12
SCHEMBL8215649 1.00 SELP (0.59) SELPSELEEGFRPTPN1P2RY12
SCHEMBL7999875 0.91 SELP (0.70) SELPSELEEGFRPTPN1P2RY12
SCHEMBL7999883 0.91 SELP (0.70) SELPSELEEGFRPTPN1P2RY12
SCHEMBL7999878 0.91 SELP (0.70) SELPSELEEGFRPTPN1P2RY12
SCHEMBL7983545 0.88 SELP (0.56) SELPSELEEGFRPTPN1APP
SCHEMBL8215299 0.88 SELP (0.56) SELPSELEEGFRPTPN1APP
SCHEMBL8267390 0.88 SELP (0.71) SELPSELEEGFRPTPN1P2RY12
SCHEMBL8267398 0.88 SELP (0.71) SELPSELEEGFRPTPN1P2RY12
SCHEMBL7996879 0.88 SELP (0.71) SELPSELEEGFRPTPN1P2RY12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000033836-A9 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS ONTOGEN CORP (US) 2001-10-04 — — WO disclosed
WO-2000033836-A1 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS ONTOGEN CORPORATION (US) 2000-06-15 — — WO disclosed
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