SCHEMBL9750854

SCHEMBL9750854

C[C@@H](Oc1ccc2ccc(Oc3c(Cl)cc(C(F)(F)F)cc3Cl)cc2c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.44
THRA P10827 4/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FFAR1 O14842 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PDK2 Q15119 1/20 0.40
PPARG P37231 3/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 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
SCHEMBL9713923 0.98 TDP1 (0.43) THRBTHRAMEN1KMT2ATDP1
SCHEMBL9633171 0.91 CYP1A2 (0.41) THRBTHRAMEN1KMT2ATDP1
SCHEMBL10846748 0.88 PPARG (0.45) THRBTHRAMEN1KMT2ATDP1
SCHEMBL9644063 0.86 KMT2A (0.43) THRBTHRAMEN1KMT2ATDP1
SCHEMBL9634558 0.86 KMT2A (0.43) THRBTHRAMEN1KMT2ATDP1
SCHEMBL204622 0.86 FFAR1 (0.58) MEN1KMT2ATDP1FFAR1PTGDR2
SCHEMBL8918684 0.86 FFAR1 (0.58) MEN1KMT2ATDP1FFAR1PTGDR2
Hydrochloric Acid SCHEMBL10642889 0.85 FFAR1 (0.57) MEN1KMT2ATDP1FFAR1PTGDR2
SCHEMBL9644988 0.84 MEN1 (0.39) THRBTHRAMEN1KMT2AFFAR1
SCHEMBL10338135 0.84 PPARG (0.42) THRBTHRAFFAR1PTGDR2PPARG

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-5041609-A Plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed