SCHEMBL9753906

SCHEMBL9753906

C=CCOC(=O)C1=CC(=O)Cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.53
CYP3A4 P08684 1/20 0.49
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FGFR1 P11362 1/20 0.39
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SNCA P37840 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
PTPRC P08575 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8719958 0.84 MAOA (0.39) RHOAMAPTALDH1A1TSHRMEN1
SCHEMBL27661294 0.82 MEN1 (0.50) MAPTNPSR1ALDH1A1TSHRPKM
SCHEMBL11132312 0.77 ALDH1A1 (0.41) MAPTALDH1A1TSHRHSD17B10FGFR1
SCHEMBL703737 0.73 MAOA (0.50) ALDH1A1TSHRPKMSMN1; SMN2MEN1
SCHEMBL10783453 0.71 MAOA (0.44) CYP3A4MAPTALDH1A1MEN1KMT2A
SCHEMBL9145493 0.71 MAOA (0.44) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6282689 0.70 CYP3A4 (0.82) RHOACYP3A4MAPTNPSR1ALDH1A1
SCHEMBL8300328 0.69 RHOA (1.00) RHOACYP3A4MAPTNPSR1ALDH1A1
SCHEMBL6687365 0.69 CYP3A4 (0.50) RHOACYP3A4MAPTNPSR1ALDH1A1
SCHEMBL22692082 0.69 CYP3A4 (0.50) RHOACYP3A4MAPTNPSR1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3185075-A None JP disclosed
JP-H03185075-A AZO-PIGMENT COMPOSITION AND WATER-BASED PIGMENT DISPERSION TOYO INK MFG CO LTD 1991-08-13 JP disclosed