SCHEMBL9766567

SCHEMBL9766567

CC(O)CCCCO[C@@H](C)CO

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL15264553 0.86 TSHR (0.37) TDP1TSHRUSP2ALDH1A1CNR1
SCHEMBL9011650 0.83 ALOX5 (0.33)
SCHEMBL14507310 0.81 TSHR (0.37) TDP1TSHRALDH1A1CNR1CNR2
SCHEMBL19194391 0.79 SMN1; SMN2 (0.33) TDP1TSHRALDH1A1CNR1CNR2
SCHEMBL25489245 0.79 ALDH1A1 (0.37) TDP1TSHRALDH1A1
SCHEMBL13670743 0.79 HSD17B10 (0.48) TDP1USP2
SCHEMBL9511115 0.79 SPHK1 (0.39) TDP1CNR1CNR2
SCHEMBL8979925 0.78 SPHK1 (0.42) USP2CNR1CNR2
SCHEMBL9508761 0.78 SPHK1 (0.42) USP2CNR1CNR2
SCHEMBL9508665 0.78 SPHK1 (0.42) USP2CNR1CNR2

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
US-5011623-A Nonlinear optical material and nonlinear optical device CANON KABUSHIKI KAISHA (JP) 1991-04-30 US disclosed