SCHEMBL28430403

SCHEMBL28430403

C=Cc1ccccc1Cc1cc(Cl)ccc1C=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.46
TBXA2R P21731 2/20 0.46
PTGFR P43088 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
PTGIR P43119 2/20 0.46
ALDH1A1 P00352 2/20 0.44
HIF1A Q16665 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
HSP90AA1 P07900 2/20 0.41
MAPT P10636 2/20 0.41
IDO1 P14902 2/20 0.41
SLC22A1 O15245 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HSPD1 P10809 1/20 0.41

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
SCHEMBL50299 0.82 ALDH1A1 (0.48) PTGDRTBXA2RPTGFRPTGER3PTGER2
SCHEMBL2448733 0.80 ALDH1A1 (0.45) PTGDRTBXA2RPTGFRPTGER3PTGER2
SCHEMBL16261598 0.79 ALDH1A1 (0.59) PTGDRTBXA2RPTGFRPTGER3PTGER2
SCHEMBL20767518 0.79 PNMT (0.43) PTGDRTBXA2RPTGFRPTGER3PTGER2
SCHEMBL810176 0.77 HPGD (0.38) PTGDRALDH1A1HIF1AHPGDMEN1
SCHEMBL15524757 0.76 HPGD (0.36) PTGDRALDH1A1HIF1AHPGDMEN1
SCHEMBL8170934 0.76 TDP1 (0.41) PTGDRALDH1A1HIF1AHPGDMEN1
SCHEMBL29135543 0.76 PTGDR (0.47) PTGDRALDH1A1HIF1AHPGDMEN1
SCHEMBL31293839 0.73 ALDH1A1 (0.40) PTGDRTBXA2RPTGFRPTGER3PTGER2
SCHEMBL4278702 0.72 TDP1 (0.52) PTGDRTBXA2RPTGFRPTGER3PTGER2

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
CN-111344320-A Block copolymer or hydrogenated product thereof 株式会社可乐丽 2020-06-26 CN disclosed