SCHEMBL20076558

SCHEMBL20076558

CCCCCC(F)C(C)CF

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
OPRM1 P35372 1/20 0.44
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.41
DNM1 Q05193 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
SMPD1 P17405 3/20 0.38
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
FDPS P14324 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
SCHEMBL28779372 0.85 MAPT (0.45) MAPTOPRM1SPHK1LMNADNM1
SCHEMBL21467732 0.85 DNM1 (0.46) MAPTOPRM1SPHK1LMNADNM1
SCHEMBL22756700 0.82 OPRM1 (0.46) MAPTOPRM1SPHK1LMNADNM1
SCHEMBL20411871 0.82 MAPT (0.46) MAPTOPRM1SPHK1LMNADNM1
SCHEMBL20470421 0.82 OPRM1 (0.46) MAPTOPRM1SPHK1LMNADNM1
SCHEMBL24920047 0.82 MAPT (0.46) MAPTOPRM1SPHK1LMNADNM1
SCHEMBL20076534 0.81
SCHEMBL11967115 0.81 MAPT (0.42) MAPTOPRM1SPHK1LMNADNM1
SCHEMBL11967114 0.81 MAPT (0.42) MAPTOPRM1SPHK1LMNADNM1
SCHEMBL22096524 0.80 OPRM1 (0.44) MAPTOPRM1SPHK1LMNADNM1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed