SCHEMBL11262304

SCHEMBL11262304

CCc1ccccc1C(O)Cn1cncn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11198284 0.82 POLB (0.44) POLBHPGDKMT2AMEN1CYP19A1
SCHEMBL11198126 0.81 POLB (0.44) POLBKMT2AMEN1ALDH1A1
SCHEMBL11185825 0.80 POLB (0.45) POLBHPGDKMT2AMEN1CYP19A1
SCHEMBL11179656 0.80 POLB (0.40) POLBHPGDKMT2AMEN1CYP19A1
SCHEMBL11187781 0.79 MAPK1 (0.45) POLBHPGDKMT2AMEN1CYP19A1
SCHEMBL11188460 0.79 CYP19A1 (0.46) POLBHPGDKMT2AMEN1CYP19A1
SCHEMBL5544140 0.75 TSHR (0.58) POLBHPGDKMT2AMEN1CYP19A1
SCHEMBL7783933 0.75 TSHR (0.58) POLBHPGDKMT2AMEN1CYP19A1
SCHEMBL11272488 0.74 ADRA2C (0.52) KMT2AMEN1CYP19A1
SCHEMBL10823260 0.74 KCNH2 (0.51) POLBHPGDKMT2AMEN1CYP19A1

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-4349556-A Pesticidally active 1-acyloxy-1-phenyl-2-azolyl-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 — — US disclosed
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