SCHEMBL9766388

SCHEMBL9766388

O=C1C(c2ccccc2)CC2(CC(c3ccccc3)C(=O)N2c2cccc(O)c2)N1c1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
MCL1 Q07820 1/20 0.39
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ME1 P48163 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL9737994 0.84 L3MBTL1 (0.48) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9673814 0.78 MEN1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9730354 0.72 HSD11B1 (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10465599 0.70 MMP13 (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28028609 0.69 MEN1 (0.53) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9676223 0.67 MEN1 (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11415790 0.66 QPCT (0.54) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9729055 0.65 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9731036 0.64 MAOA (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14086661 0.61 ALDH1A1 (0.59) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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
EP-0443688-A2 Spirodilactam-arylsulfone oligomers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-08-28 EP disclosed
US-5013805-A Cured resin products SHELL OIL COMPANY (US) 1991-05-07 US disclosed