SCHEMBL9504161

SCHEMBL9504161

CCCCCCCCCCC(C)CO[O]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
OPRM1 P35372 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
SMPD1 P17405 3/20 0.39
FDPS P14324 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
CA1 P00915 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38

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
SCHEMBL27658942 0.81 ACE2 (0.47) ACE2OPRM1GPR84ADH1BADH1C
SCHEMBL28945775 0.81 ACE2 (0.47) ACE2OPRM1GPR84ADH1BADH1C
SCHEMBL28614253 0.81 ACE2 (0.47) ACE2OPRM1GPR84ADH1BADH1C
SCHEMBL9750779 0.81 ACE2 (0.47) ACE2OPRM1GPR84ADH1BADH1C
SCHEMBL28945783 0.81 ACE2 (0.47) ACE2OPRM1GPR84ADH1BADH1C
SCHEMBL2961410 0.80
SCHEMBL3314131 0.79 ACE2 (0.45) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL3315460 0.79 ACE2 (0.45) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL17772681 0.79 ACE2 (0.45) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL9750819 0.78 OPRM1 (0.46) ACE2OPRM1ADH1BADH1CADH1A

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-0548347-A1 PHOTOGRAPHIC ELEMENTS CONTAINING 2-EQUIVALENT PYRAZOLONE COUPLERS AND PROCESS FOR THEIR USE EASTMAN KODAK COMPANY (US) 1993-06-30 EP disclosed