SCHEMBL517895

SCHEMBL517895

CC1CCCCC1NC(=O)c1ccc(-c2ccc(C(=O)NC3CCCCC3C)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.71
TAS1R3 Q7RTX0 14/20 0.67
TAS1R1 Q7RTX1 13/20 0.67
TAS1R2 Q8TE23 12/20 0.67
ALDH1A1 P00352 1/20 0.63
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA9 Q16790 1/20 0.59
GAA P10253 1/20 0.56
GFER P55789 1/20 0.56

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
SCHEMBL517994 0.95 MLYCD (0.77) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13927734 0.89 TAS1R3 (0.72) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4175029 0.89 TAS1R3 (0.72) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13927736 0.89 TAS1R3 (0.72) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL95611 0.87 MLYCD (0.68) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL889072 0.87 MLYCD (0.68) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL517271 0.87 NPC1 (0.64) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL20712985 0.87 MLYCD (0.67) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL9691775 0.87 MLYCD (0.67) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL2453198 0.84 TAS1R3 (0.81) MLYCDTAS1R3TAS1R1TAS1R2

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-2392458-B1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEM CO LTD (JP) 2018-03-14 EP disclosed
US-20120028006-A1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
EP-2392458-A2 POLYPROPYLENE RESIN MOLDED ARTICLE New Japan Chemical Co., Ltd. (JP) 2011-12-07 EP disclosed