SCHEMBL646902

SCHEMBL646902

C=CCP(=O)(CC=C)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 10/20 0.48
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 1/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.39
FAAH O00519 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4661661 0.95 TRPM8 (0.48) TRPM8LPAR3LPAR2TSHRALDH1A1
SCHEMBL11239780 0.93 TRPM8 (0.47) TRPM8LPAR3LPAR2TSHRFAAH
SCHEMBL7174570 0.78 LPAR3 (0.40) TRPM8LPAR3LPAR2TSHRALDH1A1
SCHEMBL527619 0.78 LPAR3 (0.50) TRPM8LPAR3LPAR2TSHR
SCHEMBL621623 0.77 TRPM8 (0.64) TRPM8LPAR3LPAR2FAAHHPGD
SCHEMBL31590283 0.77 LPAR3 (0.54) TRPM8LPAR3LPAR2TSHR
Phosphine SCHEMBL27462023 0.77 LPAR3 (0.48) TRPM8LPAR3LPAR2TSHR
SCHEMBL31590811 0.77 LPAR3 (0.54) TRPM8LPAR3LPAR2TSHR
SCHEMBL31590554 0.77 LPAR3 (0.54) TRPM8LPAR3LPAR2TSHR
SCHEMBL9386853 0.77 LPAR3 (0.54) TRPM8LPAR3LPAR2TSHR

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-8119739-B2 Retardation film NIPPON SHOKUBAI CO., LTD. (JP) 2012-02-21 US disclosed
US-20090135483-A1 RETARDATION FILM NIPPON SHOKUBAI CO., LTD. (JP) 2009-05-28 US disclosed