SCHEMBL7203374

SCHEMBL7203374

COc1cccc(O)c1-c1c(O)ccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 1/20 0.55
TP53 P04637 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TSHR P16473 1/20 0.50
PPARG P37231 1/20 0.49
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
CETP P11597 1/20 0.48

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
SCHEMBL6563131 0.90 MAPT (0.79) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30785795 0.90 MAPT (0.79) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19909611 0.83 MAPT (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22541875 0.82 CYP1A2 (0.62) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL31336201 0.80 MAPT (0.88) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22534454 0.80 MAPT (0.88) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
1-Naphthol SCHEMBL5492646 0.80 CYP1A2 (0.74) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL11022631 0.80 TP53 (0.67) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL15400598 0.80 PTPN22 (0.65) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL29027 0.80 PTPN22 (0.65) MAPTMEN1KMT2AALDH1A1TSHR

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-1341798-A1 CHIRAL DIPHOSPHINES AND THEIR METAL COMPLEXES PPG-Sipsy (FR) 2003-09-10 EP disclosed
WO-2002040492-A1 CHIRAL DIPHOSPHINES AND THEIR METAL COMPLEXES PPG-SIPSY (FR) 2002-05-23 WO disclosed