SCHEMBL9251935

SCHEMBL9251935

C=COC(CCCCCCC)C(O)CC(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.41
PTPN1 P18031 1/20 0.37
ABCB1 P08183 1/20 0.35
CYP2D6 P10635 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CETP P11597 1/20 0.35
HTT P42858 1/20 0.35
UBE2N P61088 1/20 0.35
GPR84 Q9NQS5 7/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL10324081 0.79 ADH1B (0.37) SPHK1PTPN1ABCB1LMNAADH1B
SCHEMBL2870771 0.78 ADH1B (0.36) SPHK1PTPN1LMNAADH1BADH1C
SCHEMBL20143363 0.75 PTPN1 (0.39) SPHK1PTPN1ABCB1CYP2D6MAPT
SCHEMBL21954868 0.73 GPR84 (0.41) SPHK1CYP2D6MAPTLMNAGMNN
SCHEMBL21954880 0.73 GPR84 (0.41) SPHK1CYP2D6MAPTLMNAGMNN
SCHEMBL21954876 0.73 GPR84 (0.41) SPHK1CYP2D6MAPTLMNAGMNN
SCHEMBL21954862 0.73 GPR84 (0.41) SPHK1CYP2D6MAPTLMNAGMNN
SCHEMBL21954871 0.73 GPR84 (0.41) SPHK1CYP2D6MAPTLMNAGMNN
SCHEMBL21954860 0.73 GPR84 (0.41) SPHK1CYP2D6MAPTLMNAGMNN
SCHEMBL21954870 0.73 GPR84 (0.41) SPHK1CYP2D6MAPTLMNAGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995005403-A1 RADIATION CURABLE ALK-1-ENYL ETHER POLYESTER PREPOLYMERS ISP INVESTMENTS INC. (US) 1995-02-23 WO disclosed
US-5373032-A Hardness, flexible, wear and chemical resistant protective coatings ISP INVESTMENTS INC. (US) 1994-12-13 US disclosed
US-5342860-A Unsaturated polyesters based on a alkenyloxy-substituted glycol and having alkenyloxy-substituted alcohol end groups; protective coatings; rapid cure at room temperature ISP INVESTMENTS INC. (US) 1994-08-30 US disclosed