SCHEMBL13680246

SCHEMBL13680246

C/C=C/[C@H](CCc1ccccc1)OPP

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.35
ERAP1 Q9NZ08 2/20 0.35
ERAP2 Q6P179 1/20 0.35
ACP3 P15309 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL12190636 0.80 ANPEP (0.32) ANPEPERAP1ERAP2ACP3ALDH1A1
SCHEMBL12549853 0.72 PRSS1 (0.33) ANPEPERAP1ERAP2
SCHEMBL15180672 0.69 ANPEP (0.44) ANPEPERAP1ERAP2ALDH1A1CYP1A2
SCHEMBL31303674 0.69 ANPEP (0.44) ANPEPERAP1ERAP2ALDH1A1CYP1A2
SCHEMBL12549185 0.69 ANPEP (0.44) ANPEPERAP1ERAP2ALDH1A1CYP1A2
SCHEMBL16490605 0.68 ALDH1A1 (0.45) ANPEPERAP1ERAP2ACP3ALDH1A1
SCHEMBL13680239 0.68 ACP3 (0.36) ANPEPERAP1ERAP2ACP3ALDH1A1
SCHEMBL9791568 0.67 EPHX1 (0.45) ANPEP
SCHEMBL9791566 0.67 EPHX1 (0.45) ANPEP
SCHEMBL28913527 0.67 KCNH2 (0.44) ANPEPERAP1ERAP2ALDH1A1CYP1A2

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
US-7582779-B2 Processes and intermediates for the preparations of prostaglandins CHIROGATE INTERNATIONAL INC. (TW) 2009-09-01 US disclosed