SCHEMBL19347299

SCHEMBL19347299

CCCc1ccc([C@H](N)CO)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
S1PR4 O95977 3/20 0.39
S1PR1 P21453 3/20 0.39
S1PR5 Q9H228 3/20 0.39
FFAR4 Q5NUL3 1/20 0.38
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP4Z1 Q86W10 1/20 0.33
CYP4F11 Q9HBI6 1/20 0.33
CYP4F12 Q9HCS2 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL20768579 0.78 KDM4E (0.42) CYP1A2MAPTCA2
SCHEMBL20768578 0.78 KDM4E (0.42) CYP1A2MAPTCA2
SCHEMBL18844142 0.77 SKP2 (0.43) SKP2CNR1CNR2FFAR4LPL
SCHEMBL18793781 0.77 TDP1 (0.40) CYP1A2
SCHEMBL30039662 0.76 F2 (0.41) CYP4Z1MAPT
SCHEMBL20768626 0.76 F2 (0.41) CYP4Z1MAPT
SCHEMBL20768627 0.76 F2 (0.41) CYP4Z1MAPT
SCHEMBL7568519 0.75 PDE10A (0.45) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
Hydrochloric Acid SCHEMBL5759186 0.72 GRM1 (0.33) CYP1A2MAPTCA2
SCHEMBL7929027 0.71 NOS1 (0.42) CNR1CNR2S1PR4S1PR1S1PR5

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
WO-2017156179-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed