SCHEMBL21137822

SCHEMBL21137822

CC1CCC(CCCS)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HRH1 P35367 1/20 0.33
NPC1 O15118 1/20 0.30

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
SCHEMBL308349 0.87
SCHEMBL21524653 0.84 PHGDH (0.30)
SCHEMBL12424485 0.84 PHGDH (0.30)
SCHEMBL28811704 0.84
SCHEMBL22084253 0.79 CYP1A2 (0.33) CYP1A2SIGMAR1
SCHEMBL330719 0.78
SCHEMBL16191111 0.78 CYP1A2 (0.33) CYP1A2LMNAMAPK1HTTHRH1
SCHEMBL23022347 0.78 SIGMAR1 (0.34) SIGMAR1
SCHEMBL2901914 0.77 CYP1A2 (0.61) CYP1A2LMNAMAPK1HTTHRH1
SCHEMBL10881985 0.77 CYP1A2 (0.61) CYP1A2LMNAMAPK1HTTHRH1

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
EP-3498997-A1 ABNORMALITY DIAGNOSIS DEVICE FOR REDUCING AGENT ADDING DEVICE TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2019-06-19 EP disclosed