SCHEMBL9978902

SCHEMBL9978902

CCCC1CCC(NC(=O)c2cc(C(=O)NC3CCC(CCC)CC3C)cc(C(=O)NC3CCC(CCC)CC3C)c2)C(C)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 14/20 0.48
TAS1R1 Q7RTX1 13/20 0.48
TAS1R2 Q8TE23 13/20 0.48
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
CRHR1 P34998 1/20 0.40
MLYCD O95822 1/20 0.38
CYP2C9 P11712 1/20 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
SCHEMBL9979213 0.90 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2CA12CA1
SCHEMBL9979263 0.83 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2CRHR1MLYCD
SCHEMBL9979046 0.80 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2MLYCD
SCHEMBL2450391 0.78 ALDH1A1 (0.49) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL9979281 0.77 CYP2D6 (0.41) TAS1R3TAS1R1TAS1R2CYP2C9
SCHEMBL2452310 0.75 TSHR (0.47) ALDH1A1CA12CA9
SCHEMBL9979374 0.75 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2ALDH1A1MLYCD
SCHEMBL9979162 0.75 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MLYCD
SCHEMBL9978823 0.75 SMYD3 (0.49) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL22580633 0.74 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2CRHR1CYP2C9

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
US-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed