SCHEMBL9419481

SCHEMBL9419481

O=C(O)Oc1cccc(C(=O)c2ccc(OC(=O)O)c(OC(=O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SRD5A2 P31213 1/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
ELANE P08246 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL8456235 0.90 ATM (0.55) ATMTDP1L3MBTL1SRD5A2ALDH1A1
SCHEMBL8330801 0.88 ATM (0.61) STSATMTDP1L3MBTL1SRD5A2
SCHEMBL7612493 0.86 ALDH1A1 (0.54) ALDH1A1GAATSHRRAB9AKDM4E
SCHEMBL361122 0.86 ELANE (0.59) STSATMTDP1L3MBTL1SRD5A2
SCHEMBL474776 0.86 ATM (0.65) STSATMTDP1L3MBTL1SRD5A2
SCHEMBL376979 0.86 TSHR (0.55) ATMTDP1L3MBTL1SRD5A2ALDH1A1
SCHEMBL7092672 0.79 SRD5A2 (0.60) SRD5A2ALDH1A1GAATSHRRAB9A
SCHEMBL28887097 0.78 ALDH1A1 (0.71) ATMTDP1L3MBTL1SRD5A2ALDH1A1
SCHEMBL686585 0.77 KDM4E (0.48) TDP1ALDH1A1GAATSHRRAB9A
SCHEMBL5314324 0.76 ELANE (0.70) STSATMTDP1L3MBTL1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143067-B1 MULTIFUNCTIONAL POLYAMIDES FOR PROTECTIVE COATINGS HUNTSMAN ADVANCED MAT AMERICAS LLC (US) 2023-09-13 EP claimed
EP-0409995-B1 VINYLIC RESIN COMPOSITION ASAHI CHEMICAL IND (JP) 1994-12-14 EP claimed