SCHEMBL20090071

SCHEMBL20090071

CC(C)CCCNC(=O)C1CCC(C)CC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TAAR1 Q96RJ0 4/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.36
HSD17B10 Q99714 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL20090070 0.94 POLB (0.40) POLBTAAR1TRPM8GAARAB9A
SCHEMBL12172855 0.91 RAB9A (0.44) POLBTAAR1TRPM8GAARAB9A
SCHEMBL10137832 0.84 TAAR1 (0.51) POLBTAAR1GAARAB9ASMN1; SMN2
SCHEMBL20123259 0.82 POLB (0.42) POLBTAAR1HSD17B10SIGMAR1KMT2A
SCHEMBL12172877 0.82 ALDH1A1 (0.48) TAAR1TRPM8EPHX1KMT2AMEN1
SCHEMBL12835478 0.80 TAAR1 (0.40) POLBTAAR1TRPM8GAAEPHX1
SCHEMBL12172853 0.80 POLB (0.45) POLBTAAR1TRPM8EPHX1HSD17B10
SCHEMBL10174302 0.79 TAAR1 (0.50) POLBTAAR1GAARAB9ASMN1; SMN2
SCHEMBL27575577 0.79 BLM (0.47) TRPM8EPHX1SIGMAR1KMT2AMEN1
SCHEMBL12835238 0.78 TAAR1 (0.45) POLBTAAR1TRPM8SMN1; SMN2EPHX1

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-20180113383-A1 COLORING AGENT DISPERSION, PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, ORGANIC EL ELEMENT, METHOD FOR FORMING PATTERN, AND METHOD FOR PRODUCING PHOTOSENSITIVE RESIN COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2018-04-26 US disclosed