SCHEMBL8645649

SCHEMBL8645649

CNC(=O)CCCCCCCNC(=O)Cc1c(C)n(Cc2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 16/20 0.68
PLA2G1B P04054 1/20 0.65
HDAC3 O15379 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
PTGS2 P35354 2/20 0.57
HDAC2 Q92769 1/20 0.57

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
SCHEMBL8358980 0.90 PLA2G2A (0.66) PLA2G2APLA2G1BPTGS2
SCHEMBL8356294 0.85 PLA2G2A (0.60) PLA2G2APLA2G1BPTGS2
SCHEMBL8356783 0.85 PLA2G2A (0.59) PLA2G2APLA2G1BPTGS2
SCHEMBL8360018 0.84 PTGS2 (0.73) PLA2G2AHDAC3HDAC1HDAC8HDAC6
SCHEMBL27550953 0.84 PLA2G2A (0.57) PLA2G2APLA2G1BHDAC3HDAC1HDAC8
SCHEMBL8355125 0.81 PLA2G2A (0.53) PLA2G2APLA2G1BHDAC3HDAC1HDAC8
SCHEMBL7961561 0.81 PLA2G2A (1.00) PLA2G2APLA2G1B
SCHEMBL27473629 0.81 PLA2G2A (0.54) PLA2G2APLA2G1BHDAC3HDAC1HDAC8
SCHEMBL8645997 0.80 PLA2G2A (0.83) PLA2G2APLA2G1BPTGS2
SCHEMBL7963016 0.80 PLA2G2A (1.00) PLA2G2APLA2G1BPTGS2

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-0746544-B1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMA INC (US) 1998-09-09 EP disclosed