SCHEMBL5916248

SCHEMBL5916248

Cc1ccc(C(CCCOB(O)O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.46
KCNH2 Q12809 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.32
PPARA Q07869 2/20 0.32
CA2 P00918 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C8 P10632 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL5076441 0.98 KIF11 (0.47) KIF11KCNH2CYP2C9CYP3A4CYP2D6
Tetramethylammonium Ion SCHEMBL8395517 0.94 KIF11 (0.44) KIF11KCNH2CYP2C9CYP3A4CYP2D6
Tetrylammonium SCHEMBL8395159 0.90 KIF11 (0.41) KIF11KCNH2CYP2C9CYP3A4CYP2D6
Tetrabuthylammonium SCHEMBL8400042 0.86 KIF11 (0.38) KIF11
SCHEMBL8399302 0.85 KIF11 (0.38) KIF11KCNH2CYP2C9CYP3A4CYP2D6
SCHEMBL625253 0.85 LMNA (0.36) KIF11KCNH2TDP1TSHRCYP1A2
SCHEMBL5916213 0.83 KIF11 (0.48) KIF11KCNH2CYP2C9CYP3A4CYP2D6
SCHEMBL5528724 0.82 KIF11 (0.53) KIF11KCNH2TDP1PPARACA2
SCHEMBL5712229 0.81 CYP3A4 (0.33) KIF11KCNH2CYP2C9CYP3A4CYP2D6
SCHEMBL31697967 0.81 KIF11 (0.47) KIF11KCNH2TSHRPPARASMN1; SMN2

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
US-20060199875-A1 Photo-curable resin composition BRIDGESTONE CORPORATION 2006-09-07 US disclosed