SCHEMBL22201173

SCHEMBL22201173

CCCC/C=C\CCCCCC1CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
FAAH O00519 3/20 0.42
TRPV1 Q8NER1 3/20 0.42
SIGMAR1 Q99720 3/20 0.41
F7 P08709 2/20 0.41
F3 P13726 2/20 0.41
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
TERT O14746 3/20 0.37
MAPT P10636 2/20 0.37
BLM P54132 2/20 0.37
HSD17B10 Q99714 2/20 0.37
FABP4 P15090 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL9211734 0.96 CYP1A2 (0.54) CYP1A2FAAHTRPV1SIGMAR1F7
SCHEMBL27469275 0.92 CYP1A2 (0.65) CYP1A2FAAHTRPV1SIGMAR1F7
SCHEMBL60762 0.92 CYP1A2 (0.59) CYP1A2FAAHTRPV1SIGMAR1F7
SCHEMBL11169649 0.90 CYP1A2 (0.63) CYP1A2FAAHTRPV1SIGMAR1TERT
SCHEMBL60056 0.90 CYP1A2 (0.63) CYP1A2FAAHTRPV1SIGMAR1TERT
SCHEMBL15881292 0.88 CYP1A2 (0.59) CYP1A2FAAHTRPV1SIGMAR1F7
SCHEMBL6460610 0.88 FAAH (0.50) CYP1A2FAAHTRPV1F7F3
SCHEMBL25395178 0.83 CYP1A2 (0.68) CYP1A2SIGMAR1LMNAKMT2A
SCHEMBL9202673 0.83 CYP1A2 (0.68) CYP1A2SIGMAR1LMNAKMT2A
SCHEMBL9202670 0.83 CYP1A2 (0.68) CYP1A2SIGMAR1LMNAKMT2A

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-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed