SCHEMBL8041209

SCHEMBL8041209

COC(=O)c1cc(C)ccc1NC(=O)C(Oc1cccc(OCc2ccccc2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
MAOB P27338 4/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SMPD1 P17405 1/20 0.43
HIF1A Q16665 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
LTA4H P09960 1/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL8037969 0.89 ALDH1A1 (0.46) LNPEPTSHRTDP1MAOBKMT2A
SCHEMBL8027785 0.84 MRGPRX4 (0.48) TSHRTDP1MAOBKMT2ASMN1; SMN2
SCHEMBL8039699 0.81 TSHR (0.58) LNPEPTSHRTDP1MAPTKMT2A
SCHEMBL8041208 0.78 FFAR1 (0.48) TSHRMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL8037972 0.76 ALDH1A1 (0.44) TSHRTDP1MAPTHTTKMT2A
SCHEMBL8027769 0.75 ALDH1A1 (0.53) TSHRTDP1MAPTKMT2ASMN1; SMN2
SCHEMBL4895612 0.73 BRD4 (0.57) LNPEPMAPTMAOBKMT2ASMN1; SMN2
SCHEMBL8037897 0.73 CTSV (0.52) KMT2ASMN1; SMN2CTSVCTSLLTA4H
SCHEMBL10363016 0.72 KDM4E (0.74) TSHRKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL11565369 0.72 LRRK2 (0.59) TDP1MAPTHTTSMN1; SMN2SMPD1

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-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed