SCHEMBL21133337

SCHEMBL21133337

O=C(O)c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C(=O)O)cc5)cc4)cc(-c4ccc(-c5cc(-c6ccc(-c7ccc(C(=O)O)cc7)cc6)cc(-c6ccc(-c7ccc(C(=O)O)cc7)cc6)c5)cc4)c3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.72
RXRA P19793 7/20 0.71
RXRB P28702 6/20 0.71
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
BCL2L1 Q07817 1/20 0.65
BAD Q92934 1/20 0.65
RXRG P48443 2/20 0.63
SRD5A2 P31213 1/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA3 P07451 1/20 0.55
TYR P14679 1/20 0.55
DRD1 P21728 1/20 0.55

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
SCHEMBL15521764 1.00 EGFR (0.72) EGFRRXRARXRBTP53TSHR
SCHEMBL18687046 1.00 EGFR (0.72) EGFRRXRARXRBTP53TSHR
SCHEMBL142861 1.00 EGFR (0.72) EGFRRXRARXRBTP53TSHR
SCHEMBL30610360 1.00 EGFR (0.72) EGFRRXRARXRBTP53TSHR
SCHEMBL30610361 1.00 EGFR (0.72) EGFRRXRARXRBTP53TSHR
SCHEMBL864660 1.00 EGFR (0.72) EGFRRXRARXRBTP53TSHR
SCHEMBL23202431 1.00 EGFR (0.72) EGFRRXRARXRBTP53TSHR
SCHEMBL21133280 1.00 EGFR (0.72) EGFRRXRARXRBTP53TSHR
SCHEMBL22734016 1.00 EGFR (0.72) EGFRRXRARXRBTP53TSHR
SCHEMBL27037008 1.00 EGFR (0.72) EGFRRXRARXRBTP53TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210106973-A1 Metal Organic Frameworks for Gas Storage UNIV KING ABDULLAH SCI & TECH (SA) 2021-04-15 US disclosed
US-10870101-B2 Metal organic frameworks for gas storage KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2020-12-22 US disclosed
US-20190255511-A1 Metal Organic Frameworks for Gas Storage UNIV KING ABDULLAH SCI & TECH (SA) 2019-08-22 US disclosed
US-10322402-B2 Metal organic frameworks for gas storage KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2019-06-18 US disclosed