SCHEMBL7999878

SCHEMBL7999878

CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(-c2[nH]c(-c3ccc(/C=C/C(=O)OCC)cc3)nc2-c2ccc(/C=C/C(=O)O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 9/20 0.70
▸ SELE P16581 2/20 0.70
▸ PTPN1 P18031 1/20 0.53
▸ EGFR P00533 1/20 0.48
▸ P2RY12 Q9H244 1/20 0.42
▸ APP P05067 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR1A P08908 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HTR7 P34969 1/20 0.40

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
SCHEMBL7999883 1.00 SELP (0.70) SELPSELEPTPN1EGFRP2RY12
SCHEMBL7999875 1.00 SELP (0.70) SELPSELEPTPN1EGFRP2RY12
SCHEMBL8000163 0.91 SELP (0.59) SELPSELEPTPN1EGFRP2RY12
SCHEMBL8215649 0.91 SELP (0.59) SELPSELEPTPN1EGFRP2RY12
SCHEMBL8000157 0.91 SELP (0.59) SELPSELEPTPN1EGFRP2RY12
SCHEMBL8194911 0.90 SELP (0.58) SELPSELEPTPN1EGFRP2RY12
SCHEMBL8194916 0.90 SELP (0.58) SELPSELEPTPN1EGFRP2RY12
SCHEMBL8181836 0.90 SELP (0.74) SELPSELEPTPN1EGFRAPP
SCHEMBL7993959 0.87 SELP (0.68) SELPSELEPTPN1EGFRADORA3
SCHEMBL7982779 0.87 SELP (0.68) SELPSELEPTPN1EGFRADORA3

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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