SCHEMBL22729968

SCHEMBL22729968

O=C(O)c1ccc(-c2ccccc2)c(C(=C(c2cc(C(=O)O)ccc2-c2ccccc2)c2cc(C(=O)O)ccc2-c2ccccc2)c2cc(C(=O)O)ccc2-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.52
PTPRC P08575 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
KMO O15229 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
EGFR P00533 1/20 0.50
FOLH1 Q04609 3/20 0.49
PTPN1 P18031 1/20 0.49
SRD5A2 P31213 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
SRD5A1 P18405 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL29562805 1.00 TTR (0.52) TTRPTPRCALDH1A1KDM4EKMO
SCHEMBL28791455 0.91 CYP2C8 (0.50) TTRPTPRCALDH1A1KDM4EKMO
SCHEMBL594370 0.90 FOLH1 (0.59) TTRPTPRCALDH1A1KDM4EKMO
Water SCHEMBL28745832 0.89 FOLH1 (0.57) TTRPTPRCALDH1A1KDM4EKMO
SCHEMBL27736136 0.85 CYP2C8 (0.71) TTRALDH1A1KDM4EKMOCYP2C8
SCHEMBL5215160 0.85 BCAT2 (0.61) TTRPTPRCALDH1A1KDM4EKMO
SCHEMBL3104353 0.85 KDM4C (0.53) TTRPTPRCALDH1A1KDM4EKMO
SCHEMBL4049678 0.82 BCAT2 (0.49) TTRPTPRCALDH1A1KDM4EKMO
SCHEMBL8149892 0.82 PTPRC (0.66) TTRPTPRCALDH1A1KDM4EKMO
SCHEMBL36018 0.82 TTR (0.62) TTRPTPRCALDH1A1KDM4EKMO

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-3134416-B1 METAL ORGANIC FRAMEWORK (MOF) YELLOW PHOSPHORS AND THEIR APPLICATIONS IN WHITE LIGHT EMITTING DEVICES UNIV RUTGERS (US) 2020-12-09 EP claimed
CN-110787316-B AIE composite electrostatic spinning fibrous membrane and preparation method and application thereof 南方科技大学 2022-02-22 CN disclosed
CN-110787316-A AIE composite electrostatic spinning fibrous membrane and preparation method and application thereof 南方科技大学 2020-02-14 CN disclosed