SCHEMBL20123259

SCHEMBL20123259

CC1CCC(C(=O)NCCCN)C(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
TAAR1 Q96RJ0 3/20 0.38
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PAOX Q6QHF9 2/20 0.35
MC4R P32245 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35

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
SCHEMBL12835478 0.83 TAAR1 (0.40) POLBTAAR1HSD17B10ALDH1A1CASP1
SCHEMBL12172853 0.83 POLB (0.45) POLBTAAR1HSD17B10ALDH1A1CASP1
SCHEMBL20090071 0.82 POLB (0.40) POLBTAAR1HSD17B10ALDH1A1CASP1
SCHEMBL18583469 0.81 EPHX1 (0.55)
SCHEMBL21840975 0.81 TAAR1 (0.55) TAAR1HSD17B10ALDH1A1CASP1
Hydrochloric Acid SCHEMBL18547896 0.80 EPHX1 (0.54) GNAI3GNAO1GNAI1
SCHEMBL12172855 0.79 RAB9A (0.44) POLBTAAR1HSD17B10ALDH1A1SIGMAR1
SCHEMBL18583490 0.77 EPHX1 (0.54) PAOXGNAI3GNAO1GNAI1
SCHEMBL20090070 0.77 POLB (0.40) POLBTAAR1HSD17B10ALDH1A1CASP1
SCHEMBL8355991 0.76 TAAR1 (0.54) POLBTAAR1HSD17B10ALDH1A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318606-B1 SILICON-CONTAINING RESIN COMPOSITION TOKYO OHKA KOGYO CO LTD (JP) 2020-03-18 EP disclosed
EP-3318606-A1 SILICON-CONTAINING RESIN COMPOSITION Tokyo Ohka Kogyo Co., Ltd. (JP) 2018-05-09 EP disclosed