SCHEMBL18045595

SCHEMBL18045595

CCCCCCCCc1ccsc1-c1ccc(-c2sc(-c3ccc(C=O)s3)cc2CCCCCCCC)s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.39
▸ APP P05067 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ GPR35 Q9HC97 2/20 0.31
▸ CYP2E1 P05181 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2B6 P20813 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ EPAS1 Q99814 1/20 0.30

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
SCHEMBL18090330 0.93 DPP4 (0.32) DPP4GPR35HIF1AEPAS1
SCHEMBL26088965 0.91 DPP4 (0.40) DPP4APPALDH1A1MAPTGPR35
SCHEMBL15724556 0.90 GPR35 (0.31) GPR35HIF1AEPAS1
SCHEMBL16705790 0.90 GPR35 (0.31) GPR35HIF1AEPAS1
SCHEMBL2592980 0.90 DPP4 (0.33) DPP4ALDH1A1MAPTGPR35CYP3A4
SCHEMBL10819415 0.89 TYR (0.35) MAPTGPR35CYP3A4
SCHEMBL85733 0.89 TYR (0.35) MAPTGPR35CYP3A4
SCHEMBL18090329 0.89 TYR (0.35) MAPTGPR35CYP3A4
SCHEMBL10164725 0.89 TYR (0.35) MAPTGPR35CYP3A4
SCHEMBL85810 0.89 TYR (0.35) MAPTGPR35CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9997299-B2 Organic dye for a dye-sensitized solar cell ENI S.P.A. (IT) 2018-06-12 — — US disclosed
US-9997299-B2 Organic dye for a dye-sensitized solar cell ENI S.P.A. (IT) 2018-06-12 — — US disclosed
US-9997299-B2 Organic dye for a dye-sensitized solar cell ENI S.P.A. (IT) 2018-06-12 — — US disclosed
US-20160268057-A1 ORGANIC DYE FOR A DYE-SENSITIZED SOLAR CELL ENI S.P.A. (IT) 2016-09-15 — — US disclosed
US-20160268057-A1 ORGANIC DYE FOR A DYE-SENSITIZED SOLAR CELL ENI S.P.A. (IT) 2016-09-15 — — US disclosed
Send feedback