SCHEMBL31464249

SCHEMBL31464249

CC(C)=CCCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
NQO2 P16083 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 1/20 0.44
ACP3 P15309 1/20 0.43
AKR1B1 P15121 1/20 0.42
SLC18A2 Q05940 1/20 0.42

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
SCHEMBL3681656 0.82 TDP1 (0.50) MTNR1ACYP1A2NQO2TDP1
SCHEMBL10049308 0.82 MTNR1A (0.45) MTNR1ACYP1A2CYP2C19CYP2D6NQO2
SCHEMBL3682565 0.81 XPO1 (0.51) MTNR1ACYP1A2CYP2C19CYP2D6TDP1
SCHEMBL7700283 0.79 CYP1A2 (0.50) MTNR1ACYP1A2CYP2C19CYP2D6NQO2
SCHEMBL7948847 0.79 MTNR1A (0.49) MTNR1ACYP1A2CYP2C19CYP2D6NQO2
SCHEMBL3092872 0.79 ACHE (0.50)
SCHEMBL3092886 0.79 ACHE (0.50)
SCHEMBL10639770 0.76 CYP1A2 (0.47) MTNR1ACYP1A2CYP2C19CYP2D6NQO2
SCHEMBL10639766 0.76 CYP1A2 (0.47) MTNR1ACYP1A2CYP2C19CYP2D6NQO2
SCHEMBL27399329 0.76 CYP1A2 (0.47) MTNR1ACYP1A2CYP2C19CYP2D6NQO2

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-119486994-A Method for synthesizing vitamin K2 辛纳吉亚生命科学私人有限公司 2025-02-18 CN claimed