SCHEMBL10885686

SCHEMBL10885686

CCCNC(=O)c1ccc2ccccc2c1Oc1ccc(CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
NR1H4 Q96RI1 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 8/20 0.42
THRA P10827 7/20 0.42
HSD11B1 P28845 1/20 0.42
SRD5A2 P31213 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL6237474 0.78 SRD5A2 (0.50) NR1H4SRD5A2KDM4EALDH1A1GAA
SCHEMBL6239925 0.75 SRD5A2 (0.50) LMNANR1H4THRBTHRASRD5A2
SCHEMBL6239365 0.74 SRD5A2 (0.49) LMNANR1H4THRBTHRASRD5A2
SCHEMBL4626021 0.73 MEN1 (0.56) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL165470 0.72 EPHX1 (0.51) LMNAMEN1KMT2ATHRBKDM4E
SCHEMBL9312700 0.70 HPGD (0.64) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL5596303 0.70 LMNA (0.64) LMNADRD2DRD3MEN1KMT2A
SCHEMBL6241535 0.69 CARM1 (0.56) LMNANR1H4MEN1KMT2ASRD5A2
SCHEMBL10885684 0.69 ESR1 (0.44) MEN1KMT2ATHRBTHRASRD5A2
SCHEMBL163761 0.69 EPHX1 (0.48) LMNAMEN1KMT2ATHRBKDM4E

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-0032286-B1 METHOD FOR ANALYSIS FOR A MEMBER OF AN IMMUNOLOGICAL PAIR USING A TEST SURFACE; KIT AND TEST SURFACE MATERIAL THEREFOR SYVA COMPANY (US) 1986-01-08 EP disclosed