SCHEMBL21974679

SCHEMBL21974679

Cc1cc(C(C)(F)F)ccc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CARM1 Q86X55 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL26938101 0.86 HTT (0.35) PDE2ALMNA
SCHEMBL10304787 0.85 PDE2A (0.52) PDE2AALDH1A1HPGDTRPA1LMNA
SCHEMBL14997534 0.84 CNR1 (0.36) PDE2AALDH1A1HPGDTRPA1LMNA
SCHEMBL11443449 0.83 TSHR (0.42) ALDH1A1HPGDTRPA1LMNACHRM1
SCHEMBL26200269 0.82 PDE2A (0.37) PDE2AALDH1A1HPGDTRPA1LMNA
SCHEMBL26137708 0.82 PDE2A (0.53) PDE2A
SCHEMBL20826211 0.79 PDE2A (0.34) PDE2A
SCHEMBL15801257 0.79 TRPA1 (0.41) PDE2AALDH1A1HPGDTRPA1LMNA
SCHEMBL20811699 0.78 PDE2A (0.40) PDE2A
SCHEMBL20811766 0.78 PDE2A (0.36) PDE2A

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
EP-3286186-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed