SCHEMBL22081978

SCHEMBL22081978

O=C(O)c1ccc(-c2ccc(C34CC5(c6ccc(-c7ccc(C(=O)O)cc7)cc6)CC(c6ccc(-c7ccc(C(=O)O)cc7)cc6)(C3)C(c3ccc(-c6ccc(C(=O)O)cc6)cc3)(C4)C5)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RXRA P19793 6/20 0.42
RXRB P28702 5/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HSD17B10 Q99714 2/20 0.40
EGFR P00533 1/20 0.40
SRD5A2 P31213 2/20 0.39
TDP2 O95551 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
RXRG P48443 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL16749648 0.93 BCL2L1 (0.52) BCL2L1BADTP53TSHRRXRA
SCHEMBL20882093 0.88 BCL2L1 (0.42) BCL2L1BADTP53TSHRRXRA
SCHEMBL5084654 0.87 TSHR (0.57) BCL2L1BADTP53TSHRRXRA
SCHEMBL18364480 0.84 BCL2L1 (0.44) BCL2L1BADTP53TSHRRXRA
SCHEMBL5081784 0.81 TSHR (0.52) TP53TSHRCA12CA1CA2
SCHEMBL18364477 0.78 TSHR (0.46) TP53TSHRRXRARXRBCA12
SCHEMBL5082233 0.78 RXRA (0.47) TP53TSHRRXRARXRBSRD5A2
SCHEMBL16769658 0.78 HSD17B10 (0.44) BCL2L1BADRXRACA1CA2
SCHEMBL16769681 0.78 HSD17B10 (0.44) BCL2L1BADRXRACA1CA2
SCHEMBL11550092 0.76 RXRA (0.46) TP53TSHRRXRARXRBSRD5A2

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
WO-2020117833-A2 AMORPHOUS METAL ORGANIC FRAMEWORKS AND METHODS OF PREPARING THE SAME FRAMERGY INC. (US) 2020-06-11 WO disclosed