SCHEMBL9743204

SCHEMBL9743204

O=C(O)c1ccc(-c2ccccc2)c2c1O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 3/20 0.47
FOLH1 Q04609 1/20 0.45
PTPN1 P18031 4/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ACMSD Q8TDX5 2/20 0.43
ALOX15 P16050 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
TYMS P04818 1/20 0.42
BCAT2 O15382 1/20 0.41
PTPN6 P29350 2/20 0.41
PTPN2 P17706 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR35 Q9HC97 1/20 0.40
DHFR P00374 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL28181774 0.81 CYP1A2 (0.55) PTPN1ALDH1A1ALOX15AKR1C3TYMS
SCHEMBL27861812 0.79 SMN1; SMN2 (0.49) FOLH1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL29118850 0.77 HNF4A (0.47) HNF4AFOLH1PTPN1FABP3FABP4
SCHEMBL4802119 0.74 HNF4A (0.49) HNF4AFOLH1PTPN1FABP3FABP4
SCHEMBL17164118 0.74 NR4A1 (0.52) HNF4AFOLH1PTPN1FABP3FABP4
SCHEMBL31517118 0.73 HNF4A (0.61) HNF4AFOLH1PTPN1FABP3FABP4
SCHEMBL1479704 0.73 HNF4A (0.61) HNF4AFOLH1PTPN1FABP3FABP4
SCHEMBL12006684 0.72 HNF4A (0.55) HNF4AFOLH1PTPN1FABP3FABP4
SCHEMBL607218 0.72 HNF4A (0.50) HNF4AFOLH1PTPN1FABP3FABP4
SCHEMBL6537038 0.72 HNF4A (0.71) HNF4AFOLH1PTPN1FABP3FABP4

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
US-5138010-A Fast switching polysiloxane ferroelectric liquid crystals UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-11 US disclosed