SCHEMBL9211579

SCHEMBL9211579

[CH2]C(C)C(C)CCCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
DNM1 Q05193 2/20 0.42
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
SMPD1 P17405 3/20 0.39
ACE2 Q9BYF1 1/20 0.39
GPR84 Q9NQS5 2/20 0.38
FDPS P14324 2/20 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
SCHEMBL5087395 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL5613172 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL1971599 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL5090277 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL5090691 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL5613428 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL5086519 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL5613268 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL5613655 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB
SCHEMBL1019949 1.00 OPRM1 (0.46) OPRM1SPHK1LMNATSHRTHRB

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 3 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