SCHEMBL7575974

SCHEMBL7575974

O=C(O)OC(=O)O.c1ccc(C2CCC2c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46
HDAC4 P56524 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 4/20 0.42
MAOB P27338 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
MAOA P21397 2/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7569180 0.92 MEN1 (0.50) SMN1; SMN2NPSR1AKR1C3AKR1C1HDAC4
Bicarbonate SCHEMBL7575978 0.86 HDAC4 (0.50) SMN1; SMN2NPSR1AKR1C3AKR1C1HDAC4
SCHEMBL7573341 0.83 AKR1C3 (0.60) AKR1C3AKR1C1ALDH1A1KDM4EMAPT
SCHEMBL2769401 0.81 MAOB (0.57) MEN1KMT2AKDM1AMAOBSLC6A3
SCHEMBL2768025 0.81 MAOB (0.57) MEN1KMT2AKDM1AMAOBSLC6A3
SCHEMBL2768026 0.81 MAOB (0.57) MEN1KMT2AKDM1AMAOBSLC6A3
SCHEMBL7572183 0.79 AKR1C3 (0.67) SMN1; SMN2NPSR1AKR1C3AKR1C1MAPT
SCHEMBL7576366 0.78 AKR1C3 (0.55) SMN1; SMN2NPSR1AKR1C3AKR1C1HDAC4
Ammonia Solution, Strong SCHEMBL11529212 0.78 MAOB (0.55) MEN1KMT2AKDM1AMAOBSLC6A3
SCHEMBL21826219 0.78 FABP5 (0.51) SMN1; SMN2NPSR1HDAC4ALDH1A1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0926118-B1 Process for the purification of bisphenols and preparation of polycarbonates therefrom GEN ELECTRIC (US) 2002-09-11 EP disclosed
US-6008315-A REACTING A PHENOL AND A KETONE TO FORM BISPHENOL IN SOLUTION OR A MIXED SOLUTION OF PHENOL AND BISPHENOL, AND THE IMPROVEMENT COMPRISES FILTERING IN A NONCONTAMINATING, HEAT RESISTANT, REUSABLE CALCINED METAL FILTER GENERAL ELECTRIC COMPANY (US) 1999-12-28 US disclosed
EP-0926118-A1 Process for the purification of bisphenols and preparation of polycarbonates therefrom GENERAL ELECTRIC COMPANY (US) 1999-06-30 EP disclosed