SCHEMBL8036611

SCHEMBL8036611

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
DGAT1 O75907 2/20 0.32
CNR1 P21554 2/20 0.31
KDM1A O60341 2/20 0.31
MAOB P27338 2/20 0.31
SOAT1 P35610 1/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAOA P21397 1/20 0.30
IDO1 P14902 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
SCHEMBL9249283 0.96 HDAC4 (0.35) HDAC4LMNAPOLBDGAT1CNR1
SCHEMBL9249290 0.96 HDAC4 (0.35) HDAC4LMNAPOLBDGAT1CNR1
SCHEMBL9249148 0.89 HDAC4 (0.34) HDAC4LMNAPOLBDGAT1CNR1
SCHEMBL9249143 0.89 HDAC4 (0.34) HDAC4LMNAPOLBDGAT1CNR1
SCHEMBL9139302 0.87 LMNA (0.36) LMNAPOLBCNR1MAOBSMN1; SMN2
SCHEMBL8036306 0.86 ESR2 (0.38) LMNADGAT1KDM1AMAOBSOAT1
SCHEMBL8034655 0.83 HDAC4 (0.36) HDAC4LMNAPOLBKDM1AMAOB
SCHEMBL9136639 0.83 ESR2 (0.40) LMNAMAPK1IDO1
SCHEMBL8034648 0.82 ESR2 (0.41) LMNADGAT1KDM1AMAOBSOAT1
SCHEMBL8024987 0.81 HDAC4 (0.32) HDAC4

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