SCHEMBL20022593

SCHEMBL20022593

O=COc1ccc(C#Cc2ccc(C#Cc3ccc(-c4cc(-c5ccc(C#Cc6ccc(C#Cc7ccc(C(=O)O)cc7)cc6)cc5)cc(-c5ccc(C#Cc6ccc(C#Cc7ccc(C(=O)O)cc7)cc6)cc5)c4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
HSD17B10 Q99714 1/20 0.44
EGFR P00533 1/20 0.44
RARB P10826 6/20 0.43
RARG P13631 3/20 0.43
RARA P10276 2/20 0.43
CYP26A1 O43174 1/20 0.43
CYP3A4 P08684 1/20 0.43
CRABP2 P29373 1/20 0.43
RXRB P28702 2/20 0.42
ERN1 O75460 3/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
PTPN11 Q06124 1/20 0.41
SRD5A2 P31213 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
SCHEMBL20022592 1.00 RXRA (0.46) RXRAHSD17B10EGFRRARBRARG
SCHEMBL10260784 0.91 RXRA (0.54) RXRAHSD17B10EGFRRARBRXRB
SCHEMBL16769649 0.91 RXRA (0.54) RXRAHSD17B10EGFRRARBRXRB
SCHEMBL12535966 0.91 RXRA (0.54) RXRAHSD17B10EGFRRARBRXRB
SCHEMBL20022595 0.89 RARB (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL16769659 0.89 RARB (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL10260705 0.89 RARB (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL15119807 0.88 RXRA (0.51) RXRAHSD17B10EGFRRXRBERN1
SCHEMBL20022594 0.87 RARB (0.42) RXRAHSD17B10RARBRARGRARA
SCHEMBL12780511 0.86 HSD17B10 (0.56) RXRAHSD17B10RARBRXRBERN1

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