SCHEMBL9250607

SCHEMBL9250607

c1ccc2c(OCC3CO3)ccc(CC3CO3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GLA P06280 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 3/20 0.44
TSHR P16473 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A4 P31645 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PDK1 Q15118 1/20 0.36
ADRB2 P07550 1/20 0.34

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
SCHEMBL29417583 0.88 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL1715947 0.88 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL19859437 0.88 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL24452831 0.86 ALDH1A1 (0.55) ALDH1A1GLATDP1TP53TSHR
SCHEMBL333024 0.83 DHFR (0.43) ALDH1A1GLATDP1TP53TSHR
SCHEMBL729501 0.81 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
Water SCHEMBL6925336 0.81 DHFR (0.42) ALDH1A1GLATDP1TP53TSHR
SCHEMBL5517102 0.81 ALDH1A1 (0.60) ALDH1A1GLATDP1TP53TSHR
SCHEMBL1129712 0.80 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53TSHR
SCHEMBL5511491 0.79 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380449-A A phenol, an epoxide, mineral oil lubricant ALLIEDSIGNAL INC. (US) 1995-01-10 US claimed
WO-1992017560-A1 STABILIZED CHLORINE-CONTAINING REFRIGERATION COMPOSITIONS ALLIED-SIGNAL INC. (US) 1992-10-15 WO claimed
WO-1992017559-A1 STABILIZED DICHLOROTRIFLUOROETHANE REFRIGERATION COMPOSITIONS ALLIED-SIGNAL INC. (US) 1992-10-15 WO claimed
WO-1992017563-A1 STABILIZED POLYOXYALKYLENE GLYCOLS ALLIED-SIGNAL INC. (US) 1992-10-15 WO claimed
US-5454966-A Stabilizing composition of a phenol and fluorinated epoxide which reduces removal of chlorine or chlorine and fluorine from the chlorine-containing refrigerant; replacement of halogen with hydrogen; pollution control ALLIEDSIGNAL INC. (US) 1995-10-03 US disclosed
WO-1992018580-A1 REFRIGERATION COMPOSITIONS OF HYDROFLUOROCARBON REFRIGERANT AND LUBRICANT ALLIED-SIGNAL INC. (US) 1992-10-29 WO disclosed
US-5156768-A Prevents reaction of chlorine-containing refrigerant with hydrogen from lubricant ALLIED-SIGNAL INC. (US) 1992-10-20 US disclosed
WO-1992017560-A1 STABILIZED CHLORINE-CONTAINING REFRIGERATION COMPOSITIONS ALLIED-SIGNAL INC. (US) 1992-10-15 WO disclosed
WO-1992017563-A1 STABILIZED POLYOXYALKYLENE GLYCOLS ALLIED-SIGNAL INC. (US) 1992-10-15 WO disclosed