SCHEMBL9717027

SCHEMBL9717027

O=C(O)c1cccc(O)c1Cc1ccccc1.[PbH4]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
HMGB1 P09429 1/20 0.53
HPGD P15428 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
CA14 Q9ULX7 1/20 0.53
HNF4A P41235 1/20 0.53
ACMSD Q8TDX5 1/20 0.50
G6PD P11413 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
PTPN1 P18031 4/20 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
SCHEMBL4630736 0.98 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL10824560 0.93 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2CA12CA1
(Chloromethyl)Benzene SCHEMBL7196363 0.90 HNF4A (0.47) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL29383769 0.87 TSHR (0.46) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL11044630 0.87 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL27488099 0.87 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL27543078 0.84 LIG1 (0.49) ALDH1A1HNF4ATSHRTDP1KMT2A
SCHEMBL9244765 0.84 HNF4A (0.59) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL11213066 0.83 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL9076064 0.82 LTB4R (0.52) ALDH1A1KDM4ESMN1; SMN2CA12CA1

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-0329460-B1 STABILISED MACROLIDE COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1992-05-20 EP claimed