SCHEMBL10985328

SCHEMBL10985328

CCCCCCCCCCCCCCC(C)(c1ccc(OP(O)O)cc1)c1ccc(OP(O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.38
▸ CNR1 P21554 9/20 0.38
▸ STS P08842 2/20 0.38
▸ NR5A1 Q13285 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ACAT1 P24752 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34

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
SCHEMBL15561439 0.86 CNR2 (0.48) CNR2CNR1
SCHEMBL11493213 0.83 ALDH1A1 (0.38) CNR2CNR1STSNR5A1TSHR
SCHEMBL4193941 0.82 NR5A1 (0.35) CNR2CNR1STSNR5A1TP53
SCHEMBL15355750 0.80 CNR2 (0.46) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL9381406 0.78 SLC2A1 (0.35) STSNR5A1S1PR1KMT2A
SCHEMBL347176 0.77 CYP3A4 (0.53) NR5A1TP53CYP3A4TSHRS1PR1
SCHEMBL2862178 0.76 ESR1 (0.58) CNR2CNR1NR5A1KDM4ETP53
SCHEMBL339165 0.76 ESR1 (0.58) CNR2CNR1NR5A1KDM4ETP53
SCHEMBL74674 0.76 ESR1 (0.58) CNR2CNR1NR5A1KDM4ETP53
SCHEMBL10752311 0.76 ESR1 (0.58) CNR2CNR1NR5A1KDM4ETP53

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-0155517-A2 Polyester composition and process for producing shaped articles using same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-09-25 — — EP disclosed
Send feedback