SCHEMBL6972500

SCHEMBL6972500

[CH2]OC(=O)c1cc(C)on1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
ESR1 P03372 1/20 0.46
ALOX12 P18054 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.45
GLA P06280 1/20 0.45
PKM P14618 1/20 0.44
STAT3 P40763 1/20 0.44

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
SCHEMBL1087642 0.82 MAPT (0.56) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL27617928 0.81 MAPT (0.59) MAPTKMT2AALDH1A1RAB9ANPC1
SCHEMBL6966443 0.79 ALDH1A1 (0.52) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL434805 0.78 MEN1 (0.61) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8267185 0.77 NPC1 (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL27759338 0.77 RAB9A (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL28950613 0.77 NPC1 (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8266872 0.74 RAB9A (0.51) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL5290901 0.74 TSHR (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL286771 0.74

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed