SCHEMBL30454209

SCHEMBL30454209

COc1c(F)ncc(Br)c1COCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ PDE4D Q08499 1/20 0.33
▸ THRB P10828 3/20 0.33
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ THRA P10827 2/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MIF P14174 1/20 0.31
▸ TPMT P51580 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL25356919 1.00 HSD17B10 (0.36) HSD17B10TSHRALOX15PKMPDE4D
SCHEMBL25356115 0.85 TSHR (0.38) HSD17B10TSHRPOLBSMN1; SMN2PTPN1
SCHEMBL30453142 0.85 TSHR (0.38) HSD17B10TSHRPOLBSMN1; SMN2PTPN1
SCHEMBL30454331 0.84 — —
SCHEMBL25354537 0.84 — —
SCHEMBL25353387 0.76 CA2 (0.43) HSD17B10TSHRALOX15
SCHEMBL5037861 0.66 TAAR1 (0.47) POLBLMNA
SCHEMBL25356082 0.65 PKM (0.40) ALOX15PKMTHRBTHRA
SCHEMBL25354521 0.64 CA2 (0.33) —
SCHEMBL11563914 0.63 PKM (0.47) HSD17B10TSHRALOX15PKMTHRB

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-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 — — WO disclosed
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