SCHEMBL11299774

SCHEMBL11299774

CCCCCCCCC(NC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
SPHK1 Q9NYA1 1/20 0.40
LMNA P02545 1/20 0.39
DNM1 Q05193 2/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
ACE2 Q9BYF1 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FDPS P14324 3/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL24394272 0.98 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL24409398 0.98 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL18884674 0.90 DNM1 (0.36) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL6892670 0.84 OPRM1 (0.41) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL6895295 0.84 OPRM1 (0.41) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL18620875 0.82 SPHK1 (0.47) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL6897015 0.82 SPHK1 (0.52) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL21143019 0.82 DNM1 (0.41) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL6895292 0.82 SPHK1 (0.52) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL19200976 0.80 ADH1B (0.38) 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-4359418-A YELLOW, ORANGE COLOR CIBA-GEIGY CORPORATION (US) 1982-11-16 US disclosed
EP-0005222-A2 Salts of sulphonated azo dyes and their use CIBA-GEIGY AG (CH) 1979-11-14 EP disclosed