SCHEMBL11067339

SCHEMBL11067339

CN(CCCCCO)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EPHX1 P07099 1/20 0.35
LSS P48449 2/20 0.35
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
ADH1A P07327 2/20 0.33
ADH1C P00326 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL17743437 0.98 HRH4 (0.39) SIGMAR1HRH4HRH3LSSFAAH
SCHEMBL11064526 0.98 HRH4 (0.39) SIGMAR1HRH4HRH3LSSFAAH
SCHEMBL17743439 0.98 HRH4 (0.39) SIGMAR1HRH4HRH3LSSFAAH
SCHEMBL16822366 0.96 HRH4 (0.36) SIGMAR1HRH4HRH3LSSFAAH
SCHEMBL17743406 0.94 LSS (0.34) SIGMAR1HRH4HRH3LSSKMT2A
SCHEMBL1131900 0.92 HRH4 (0.40) SIGMAR1HRH4HRH3FAAHPHGDH
SCHEMBL17743426 0.92 HRH4 (0.40) SIGMAR1HRH4HRH3FAAHPHGDH
SCHEMBL9949604 0.90 HRH4 (0.37) SIGMAR1HRH4HRH3LSSFAAH
SCHEMBL13306231 0.90 LSS (0.40) SIGMAR1LSSADH1AADH1CKMT2A
SCHEMBL13306230 0.87 LSS (0.38) LSSADH1AADH1CKMT2AKDM4E

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
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed