SCHEMBL10691134

SCHEMBL10691134

CN1Oc2cc(C(=O)c3ccc(Cl)cc3)ccc2CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
MMP2 P08253 1/20 0.40
HTT P42858 3/20 0.40
ELANE P08246 1/20 0.40
POLB P06746 1/20 0.38
SRD5A2 P31213 1/20 0.38
HPGD P15428 2/20 0.38
ABCB11 O95342 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
FABP2 P12104 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL10692962 0.88 ALDH1A1 (0.46) MAPK1ELANESRD5A2HPGDMAPT
SCHEMBL10691708 0.73 SRD5A2 (0.40) MAPK1HTTSRD5A2HPGDMAPT
SCHEMBL10693391 0.73 MAPK1 (0.41) MAPK1HTTELANESRD5A2HPGD
SCHEMBL9668299 0.68 BRD4 (0.46) MAPK1SRD5A2HPGDALDH1A1LMNA
SCHEMBL7356037 0.67 MAOA (0.43) HPGDMAPTTDP1ALDH1A1KMT2A
SCHEMBL18546949 0.66 SRD5A2 (0.73) MAPK1POLBSRD5A2MAPTALDH1A1
SCHEMBL51827 0.65 SRD5A2 (0.80) MAPK1HTTELANESRD5A2HPGD
SCHEMBL9065412 0.65 SRD5A2 (0.80) MAPK1HTTELANESRD5A2HPGD
SCHEMBL10697158 0.65 SRD5A2 (0.80) MAPK1HTTELANESRD5A2HPGD
SCHEMBL1681512 0.65 SRD5A2 (0.80) MAPK1HTTELANESRD5A2HPGD

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-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed