SCHEMBL9211599

SCHEMBL9211599

CCCCCCCCCC(C)[NH]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
GPR84 Q9NQS5 3/20 0.46
SPHK1 Q9NYA1 1/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
DNM1 Q05193 2/20 0.46
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
ACE2 Q9BYF1 1/20 0.41
FDPS P14324 3/20 0.41

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
SCHEMBL277521 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL9203961 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL9348935 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL276601 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL9205115 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL11033619 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL9214274 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL9209648 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL9211873 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1
SCHEMBL9204192 1.00 OPRM1 (0.50) OPRM1TSHRTHRBGPR84SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed
EP-0107120-B1 SUBSTITUTED AMINOALCANOL PHOSPHOLIPIDS AND PROCESS FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1986-10-29 EP disclosed
EP-0107120-A1 Substituted aminoalcanol phospholipids and process for their preparation A. Nattermann & Cie. GmbH (DE) 1984-05-02 EP disclosed