SCHEMBL11522604

SCHEMBL11522604

CCCCCC(O)(CN)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
GAA P10253 1/20 0.42
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
KIF11 P52732 3/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL15976484 0.98 SCN5A (0.43) SIGMAR1TAAR1GAASCN5ASCN9A
SCHEMBL7671955 0.95 TAAR1 (0.44) SIGMAR1TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL28718402 0.89 SIGMAR1 (0.47) SIGMAR1GAASCN5ASCN9ACYP1A2
SCHEMBL10439506 0.88 GAA (0.44) SIGMAR1GAASCN5ASCN9ACYP1A2
SCHEMBL11643873 0.87 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9ACYP1A2
SCHEMBL3809940 0.87 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9ACYP1A2
SCHEMBL3422456 0.87 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9ACYP1A2
SCHEMBL2065923 0.87 TAAR1 (0.47) SIGMAR1TAAR1GAACYP1A2CYP2C9
SCHEMBL2065092 0.87 TAAR1 (0.47) SIGMAR1TAAR1GAACYP1A2CYP2C9
SCHEMBL2065906 0.87 TAAR1 (0.47) SIGMAR1TAAR1GAACYP1A2CYP2C9

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-4146560-A HYDROGENATION; COPPER-COBALT-CHROMIUM CATALYST TEXACO DEVELOPMENT CORP. (US) 1979-03-27 US disclosed