SCHEMBL20022594

SCHEMBL20022594

O=COc1ccc(C#Cc2ccc(-c3nc(-c4ccc(C#Cc5ccc(C(=O)O)cc5)cc4)nc(-c4ccc(C#Cc5ccc(C(=O)O)cc5)cc4)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.42
RARG P13631 3/20 0.42
PTPN11 Q06124 1/20 0.40
CHEK1 O14757 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RARA P10276 2/20 0.39
CYP26A1 O43174 1/20 0.39
CYP3A4 P08684 1/20 0.39
CRABP2 P29373 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXRA P19793 1/20 0.36
NR4A2 P43354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16769660 0.91 HSD17B10 (0.46) RARBCHEK1HSD17B10CA1CA2
SCHEMBL20022595 0.88 RARB (0.46) RARBRARGPTPN11RARACYP26A1
SCHEMBL10260705 0.88 RARB (0.46) RARBRARGPTPN11RARACYP26A1
SCHEMBL16769659 0.88 RARB (0.46) RARBRARGPTPN11RARACYP26A1
SCHEMBL20022593 0.87 RXRA (0.46) RARBRARGPTPN11HSD17B10RARA
SCHEMBL20022592 0.87 RXRA (0.46) RARBRARGPTPN11HSD17B10RARA
SCHEMBL20026754 0.84 RARB (0.55) RARBRARGPTPN11RARACYP26A1
SCHEMBL12780511 0.81 HSD17B10 (0.56) RARBHSD17B10CA1CA2ALDH1A1
SCHEMBL6054668 0.79 CA1 (0.56) HSD17B10CA1CA2PKMALDH1A1
SCHEMBL12535966 0.77 RXRA (0.54) RARBHSD17B10CA1CA2RXRA

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-20180093251-A1 POROUS COORDINATION POLYMER AND GAS STORAGE USING THE SAME PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2018-04-05 US disclosed