SCHEMBL9154261

SCHEMBL9154261

[O]CCCCCCCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
KDM5A P29375 4/20 0.38
PHF8 Q9UPP1 4/20 0.38
KDM2A Q9Y2K7 4/20 0.38
KDM4C Q9H3R0 3/20 0.38
KDM7A Q6ZMT4 1/20 0.38
CYP1A2 P05177 1/20 0.35
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
KDM4A O75164 1/20 0.32
PKM P14618 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL330196 1.00 SIGMAR1 (0.42) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL330428 1.00
SCHEMBL9127640 1.00 SIGMAR1 (0.42) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL330352 0.97
SCHEMBL921566 0.89 SIGMAR1 (0.50) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL5534476 0.89 SIGMAR1 (0.56) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL5540630 0.89 SIGMAR1 (0.56) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL5540244 0.89 SIGMAR1 (0.50) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL135582 0.88
SCHEMBL1006169 0.87 SIGMAR1 (0.60) SIGMAR1KDM5APHF8KDM2AKDM4C

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-5407599-A Cyclopropylaklyl or -alkenyl or heterocyclic compounds, process for their preparation and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed