SCHEMBL15310255

SCHEMBL15310255

Cc1cc(-c2nc3cnc(Oc4cccc(Cl)c4)nc3o2)cc(C)c1OCC(=O)N1CCC(OC(=O)O)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.72
CYP1A2 P05177 11/20 0.40
ALDH1A1 P00352 9/20 0.40
CYP3A4 P08684 6/20 0.40
TSHR P16473 4/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 10/20 0.40
USP2 O75604 7/20 0.40
CYP2C19 P33261 5/20 0.40
HSD17B10 Q99714 5/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 4/20 0.39
GLA P06280 1/20 0.39
FKBP1A P62942 1/20 0.39
EGFR P00533 3/20 0.38
BTK Q06187 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 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
SCHEMBL15310183 0.96 S1PR1 (0.70) S1PR1CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL15310091 0.92 S1PR1 (0.59) S1PR1ALDH1A1MAPTLMNAPOLB
SCHEMBL15310010 0.91 S1PR1 (0.74) S1PR1CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL15310181 0.89 S1PR1 (0.72) S1PR1CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL15310194 0.88 S1PR1 (0.71) S1PR1CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL15310137 0.88 S1PR1 (0.53) S1PR1MAPTLMNAPOLBKMT2A
SCHEMBL15309873 0.88 S1PR1 (0.61) S1PR1CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL15310158 0.87 S1PR1 (0.53) S1PR1CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL15310002 0.87 S1PR1 (0.52) S1PR1ALDH1A1MAPTLMNAPOLB
SCHEMBL15310088 0.85 S1PR1 (0.61) S1PR1CYP1A2ALDH1A1CYP3A4TSHR

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-2470504-B1 SYNTHESIS OF PROPIVERINE HYDROCHLORIDE ANDAGAR RAMAKRISHNA RAMESHA (IN) 2013-10-16 EP disclosed