SCHEMBL8897620

SCHEMBL8897620

CCCCCC(O)C(C)(C)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.40
SPHK1 Q9NYA1 2/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.38
MAPT P10636 2/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CETP P11597 1/20 0.38
HTT P42858 1/20 0.38
UBE2N P61088 1/20 0.38
CA2 P00918 1/20 0.38
OPRM1 P35372 1/20 0.37

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
SCHEMBL8897005 0.98 GPR84 (0.43) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL5463674 0.93 CA2 (0.38) GPR84CA2FDPS
SCHEMBL8896477 0.84 GPR84 (0.39) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL8577795 0.84 LMNA (0.43) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL14949770 0.84 SMN1; SMN2 (0.36) LMNA
SCHEMBL12134521 0.82 TSHR (0.39) LMNA
SCHEMBL8895611 0.82 GPR84 (0.42) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL5713075 0.82 GPR84 (0.42) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL8898484 0.82 GPR84 (0.42) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL2395540 0.80 TSHR (0.50) GPR84SPHK1FFAR1LMNACYP2D6

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
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed