SCHEMBL11344360

SCHEMBL11344360

[CH]=CC(C)CCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
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
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
SCHEMBL386222 1.00 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL11342146 1.00 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL11344546 1.00 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL387751 0.97
SCHEMBL22804155 0.90
SCHEMBL386867 0.90
SCHEMBL7922615 0.82 ACE2 (0.41) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL4272101 0.79 OPRM1 (0.48) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL4275505 0.79 OPRM1 (0.48) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL4275310 0.79 OPRM1 (0.48) OPRM1ADH1BADH1CADH1AADH4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4297300-A Novel α-haloalkylcarbamic acid halides, and a process for the preparation of α-haloalkylcarbamic acid halides BASF AKTIENGESELLSCHAFT (DE) 1981-10-27 US disclosed
EP-0007498-A1 Alpha-halogeno-alkyl carbamyl halides and a process for preparing them BASF Aktiengesellschaft (DE) 1980-02-06 EP disclosed