SCHEMBL8896064

SCHEMBL8896064

CCCCCCC(C)(C)C(O)CC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GGPS1 O95749 4/20 0.39
FDPS P14324 6/20 0.38

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
SCHEMBL12347328 0.91 TSHR (0.48) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL15950043 0.86 TSHR (0.44) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL5713075 0.84 GPR84 (0.42) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL8898827 0.84 LMNA (0.39) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL8898484 0.84 GPR84 (0.42) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL11847077 0.83 LMNA (0.37) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL12134529 0.82 SMN1; SMN2 (0.36) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL12514661 0.81 LMNA (0.43) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL158353 0.81 LMNA (0.43) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL8897631 0.80 TSHR (0.52) TSHR

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