SCHEMBL8677124

SCHEMBL8677124

CC(=O)Nc1ccc(CCCc2ccccc2C(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP19A1 P11511 1/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
KDM4E B2RXH2 2/20 0.50
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TNF P01375 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
PTGER1 P34995 3/20 0.49
PTGER4 P35408 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
CLCN2 P51788 1/20 0.48
BRD4 O60885 1/20 0.48
FDPS P14324 1/20 0.47

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
SCHEMBL8459732 0.86 PTGER1 (0.66) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL8675451 0.83 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2GAA
SCHEMBL8676578 0.82 MEN1 (0.52) MEN1KMT2ACTSVCTSLPTGER1
SCHEMBL8676630 0.81 MTNR1A (0.55) KDM4ESMN1; SMN2PTGER1PTGER4PTGER3
SCHEMBL8675205 0.81 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2SGMS2
SCHEMBL8677127 0.81 RAB9A (0.56) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL8675899 0.81 PTGER1 (0.54) KDM4EPTGER1PTGER4PTGER3PTGER2
SCHEMBL8676388 0.80 PTGER1 (0.55) CTSVCTSLPTGER1PTGER4PTGER3
SCHEMBL8322219 0.80 PTGER1 (0.52) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL8322247 0.80 CYP19A1 (0.56) MEN1KMT2ACYP19A1CYP11B1CYP11B2

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed