SCHEMBL28291440

SCHEMBL28291440

CCCCCCCCCCCCCCCCCCCC(C)C(C)(C)CCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
FDPS P14324 4/20 0.39
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 2/20 0.38
DNM1 Q05193 2/20 0.37
TSHR P16473 2/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
THRB P10828 1/20 0.36
CA2 P00918 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL28880009 0.98 OPRM1 (0.42) OPRM1FDPSSPHK1LMNADNM1
SCHEMBL8520335 0.85 DNM1 (0.34) DNM1TSHRADH1BADH1CADH1A
SCHEMBL29209888 0.84 OPRM1 (0.42) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL28674433 0.84 TSHR (0.38) FDPSLMNATSHRTHRBALDH1A1
SCHEMBL2761465 0.84 OPRM1 (0.42) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL18490857 0.83 OPRM1 (0.38) OPRM1FDPSSPHK1LMNADNM1
SCHEMBL20609980 0.81 OPRM1 (0.44) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL21989955 0.81 OPRM1 (0.33) OPRM1FDPSTSHR
SCHEMBL21989957 0.81 DNM1 (0.35) OPRM1FDPSDNM1TSHRCA2
SCHEMBL5173397 0.81 TSHR (0.33) OPRM1FDPSLMNATSHRTHRB

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
CN-109640962-A POLYNUCLEOTIDES ENCODING RELAXIN 摩登纳特斯有限公司 2019-04-16 CN disclosed