SCHEMBL30913836

SCHEMBL30913836

CC(=O)c1cccc(-c2cccc(-c3ccc(O)cc3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ ESR1 P03372 1/20 0.63
▸ HSD17B1 P14061 3/20 0.62
▸ ABL1 P00519 2/20 0.55
▸ ABCB1 P08183 2/20 0.55
▸ BCR P11274 2/20 0.55
▸ HSD17B2 P37059 2/20 0.53
▸ KMO O15229 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ TDP2 O95551 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ PGR P06401 1/20 0.50
▸ DHFR P00374 1/20 0.49
▸ CHEK1 O14757 1/20 0.49

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
SCHEMBL23289053 1.00 KMT2A (0.63) KMT2AMEN1ESR1HSD17B1ABL1
SCHEMBL23289050 1.00 KMT2A (0.63) KMT2AMEN1ESR1HSD17B1ABL1
SCHEMBL2786037 0.98 HSD17B1 (0.64) KMT2AMEN1ESR1HSD17B1ABL1
SCHEMBL2586835 0.88 KMO (0.59) KMT2AMEN1KMOMAPTSMN1; SMN2
SCHEMBL10389377 0.86 MAPT (0.69) KMT2AHSD17B1KMOMAPTSMN1; SMN2
SCHEMBL10389918 0.86 MAP4K4 (0.59) KMT2AMEN1KMOMAPTSMN1; SMN2
SCHEMBL23289052 0.85 DHODH (0.58) KMOMAPTSMN1; SMN2TDP2PGR
SCHEMBL23289047 0.85 DHODH (0.58) KMOMAPTSMN1; SMN2TDP2PGR
SCHEMBL1513826 0.85 FYN (0.56) KMT2AMEN1HSD17B1HSD17B2PGR
SCHEMBL407605 0.84 KMO (0.67) KMT2AMEN1KMOMAPTSMN1; SMN2

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-2024100526-A1 SMART BIOSTIMULANT DELIVERY FOR PLANT GROWTH AND DEVELOPMENT KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2024-05-16 — — WO disclosed
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