SCHEMBL8034504

SCHEMBL8034504

C/C=C/[C@H]1CC[C@H](C2CCC(c3cnc(-c4ccc(Cl)cc4)nc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.35
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
DEGS1 O15121 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL8383638 0.96 HDAC4 (0.37) HDAC4KDM1AMAOBNPC1RAB9A
SCHEMBL8383632 0.96 HDAC4 (0.37) HDAC4KDM1AMAOBNPC1RAB9A
SCHEMBL9312290 0.96 HDAC4 (0.37) HDAC4KDM1AMAOBNPC1RAB9A
SCHEMBL8034489 0.85 DRD2 (0.39) NPC1RAB9A
SCHEMBL8034655 0.84 HDAC4 (0.36) HDAC4KDM1AMAOBNPC1RAB9A
SCHEMBL8034773 0.84 ACACB (0.32) HDAC4
SCHEMBL9179048 0.83 DRD2 (0.41)
SCHEMBL9179061 0.83 DRD2 (0.41)
SCHEMBL9617265 0.83 DRD2 (0.41)
SCHEMBL9179054 0.83 DRD2 (0.41)

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-0497176-B1 Four rings compounds and liquid crystal mixtures containing them MERCK PATENT GMBH (DE) 2000-04-05 EP disclosed
US-5478497-A For electro-optical purposes HOFFMANN-LA ROCHE INC. (US) 1995-12-26 US disclosed
EP-0497176-A2 Four rings compounds and liquid crystal mixtures containing them F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed