SCHEMBL9339409

SCHEMBL9339409

COc1cccc(C(=O)Oc2cccc(CBr)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.65
ESR2 Q92731 1/20 0.65
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MMP13 P45452 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
PARP1 P09874 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
MEP1B Q16820 1/20 0.48
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
TP53 P04637 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL4216005 0.85 KMT2A (0.54) KMT2AMEN1CES2CES1
SCHEMBL9339370 0.82 SMN1; SMN2 (0.53) KMT2AMEN1CES2CES1SMN1; SMN2
SCHEMBL17743 0.81 TAAR1 (0.60)
SCHEMBL29351751 0.81 TAAR1 (0.60)
SCHEMBL11758692 0.80 ESR1 (0.74) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL28519972 0.80 ESR1 (0.73) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL27744379 0.80 ESR1 (0.73) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL11028366 0.79 TAAR1 (0.58)
SCHEMBL9339316 0.79 ESR1 (0.72) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL28818160 0.79 ESR1 (1.00) ESR1ESR2KMT2AMEN1CASP3

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-5288871-A Modify balance between rates of bone resorption and formation AMERICAN HOME PRODUCTS CORPORATION (US) 1994-02-22 US disclosed