SCHEMBL10399537

SCHEMBL10399537

CC(C)=C(C)C(=O)OC(CO)(CO)CCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
TDP1 Q9NUW8 1/20 0.34
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ARG2 P78540 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL418670 0.85
SCHEMBL65971 0.81 KDM4E (0.31) KDM4E
SCHEMBL10400353 0.80
SCHEMBL3238710 0.72 TSHR (0.46) CYP4F2CYP4A11TDP1GPR84HTT
SCHEMBL4428712 0.72 TSHR (0.46) CYP4F2CYP4A11TDP1GPR84HTT
SCHEMBL17646108 0.71 MGAM (0.40) CYP4F2CYP4A11TDP1
SCHEMBL19019803 0.71 CYP4F2 (0.40) CYP4F2CYP4A11TDP1GPR84FFAR1
SCHEMBL1171604 0.70 TSHR (0.42) CYP4F2CYP4A11TDP1HTT
SCHEMBL19019774 0.69 CYP4F2 (0.41) CYP4F2CYP4A11TDP1KDM4ESMN1; SMN2
SCHEMBL16149528 0.69 TSHR (0.40) CYP4F2CYP4A11TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935488-A ALKYD RESINS, POLYESTERS, FILMS, COATINGS; PHOTOPOLYMERIZABLE UNSATURATED ESTERS; FAST CURING Kurary Company, Ltd. (JP) 1990-06-19 US claimed
EP-0338540-A2 Trimethylolheptanes and use thereof KURARAY CO., LTD. (JP) 1989-10-25 EP claimed
US-4935488-A ALKYD RESINS, POLYESTERS, FILMS, COATINGS; PHOTOPOLYMERIZABLE UNSATURATED ESTERS; FAST CURING Kurary Company, Ltd. (JP) 1990-06-19 US disclosed
EP-0338540-A2 Trimethylolheptanes and use thereof KURARAY CO., LTD. (JP) 1989-10-25 EP disclosed