SCHEMBL28239282

SCHEMBL28239282

C=C(C)C(=O)OC(CC)OP(=O)(O)OCCCCC.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LPAR3 Q9UBY5 6/20 0.41
LPAR2 Q9HBW0 5/20 0.41
LPAR1 Q92633 2/20 0.41
PLA2G2C Q5R387 1/20 0.36
P2RY10 O00398 5/20 0.35
SMPD1 P17405 3/20 0.35
GPR34 Q9UPC5 2/20 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
SCHEMBL28239276 0.99 TSHR (0.47) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL28276962 0.97 TSHR (0.48) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL28239284 0.97 TSHR (0.48) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL27399191 0.97 TSHR (0.48) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL28240287 0.96 TSHR (0.39) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL28186892 0.95 TSHR (0.40) TSHRLPAR3LPAR2LPAR1PLA2G2C
SCHEMBL27898159 0.83 THRB (0.34) TSHR
SCHEMBL2059970 0.83 TSHR (0.36) TSHRSMPD1
Ethylene SCHEMBL28870955 0.82 THRB (0.33) TSHR
Phosphoric Acid SCHEMBL28347912 0.81 TSHR (0.49) TSHRLPAR3LPAR2LPAR1SMPD1

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
CN-108659166-A A kind of combed block copolymer ceramic water reducing agent of ATRP technologies 湖南辰砾新材料有限公司 2018-10-16 CN disclosed