SCHEMBL7245263

SCHEMBL7245263

C=C(c1ccc(O)c(O)c1)c1ccc2c(C(=O)O)cccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.41
▸ POLB P06746 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ IGFBP5 P24593 3/20 0.40
▸ IGFBP3 P17936 3/20 0.40
▸ IGFBP1 P08833 1/20 0.40
▸ IGFBP2 P18065 1/20 0.40
▸ IGFBP4 P22692 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
SCHEMBL7235575 0.86 KDM4E (0.44) PTPN1KDM4EPOLBGAAMAPT
SCHEMBL3860500 0.76 HSD17B14 (0.52) KDM4EGAAMAPTHSD17B14ALDH1A1
SCHEMBL2806839 0.75 MGAM (0.58) PTPN1KDM4EPOLBAKR1C3AKR1C2
SCHEMBL7243815 0.75 PIM1 (0.57) KDM4EPOLBGAAMAPTCA12
SCHEMBL28061749 0.74 MAPT (0.53) PTPN1KDM4EPOLBGAAMAPT
SCHEMBL6064587 0.72 HSD17B14 (0.45) KDM4EGAAMAPTL3MBTL1KMT2A
SCHEMBL17433761 0.69 NR4A1 (0.52) PTPN1KDM4EPOLBCA12CA1
SCHEMBL31466752 0.69 NR4A1 (0.52) PTPN1KDM4EPOLBCA12CA1
SCHEMBL7893778 0.68 ACMSD (0.56) PTPN1KDM4ECA12CA1CA2
SCHEMBL10520040 0.67 GRIN2D (0.50) PTPN1KDM4EPOLBCA12CA1

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
US-6670377-B1 Inhibitory properties of human immunodeficiency virus integrase CENTRE NATIONAL DE LA RECHERCHE (FR) 2003-12-30 — — US disclosed
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