SCHEMBL9366397

SCHEMBL9366397

COCc1cc(Cl)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
HPGD P15428 4/20 0.61
ALOX15 P16050 4/20 0.61
CYP3A4 P08684 4/20 0.61
ALOX12 P18054 3/20 0.61
HTT P42858 3/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HSP90AA1 P07900 2/20 0.61
SLC22A1 O15245 1/20 0.61
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.61
HSPD1 P10809 1/20 0.61
HSPA5 P11021 1/20 0.61
IDO1 P14902 1/20 0.61
CASP1 P29466 1/20 0.61
BLM P54132 1/20 0.61
HSPE1 P61604 1/20 0.61

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
SCHEMBL13318415 0.84 MAPT (0.46) HIF1AMEN1KMT2AHPGDALOX15
SCHEMBL27490631 0.82 HPGD (0.63) HIF1AMEN1KMT2AHPGDALOX15
SCHEMBL30517263 0.81 IDO1 (0.45) HIF1AMEN1KMT2AHPGDALOX15
SCHEMBL29018344 0.81 IDO1 (0.45) HIF1AMEN1KMT2AHPGDALOX15
SCHEMBL6712520 0.81 PRKCE (0.50) HIF1AMEN1KMT2AHPGDALOX15
SCHEMBL1145754 0.79 IDO1 (0.44) HIF1AMEN1KMT2AHPGDALOX15
SCHEMBL29043085 0.78 MAPT (0.44) HIF1AMEN1KMT2AHPGDALOX15
SCHEMBL12887520 0.78 MRGPRX4 (0.44) HIF1AMEN1KMT2AHPGDALOX15
SCHEMBL2561232 0.78 MEN1 (0.42) HIF1AMEN1KMT2AHPGDALOX15
SCHEMBL25446709 0.78 PRKCE (0.47) HIF1AMEN1KMT2AHPGDALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451650-B1 Method for the production of o-hydroxy-benzaldehydes BAYER AG (DE) 1994-08-24 EP disclosed
US-5130493-A Oxidation of o-cresol in the presence of a chelate compound of iron and manganese with mesotetraarylporphine BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
US-4639438-A INSECTICIDES, MITICIDES CELAMERCK GMBH & CO. KG (DE) 1987-01-27 US disclosed
EP-0097854-B1 THIOLPHOSPHORIC-ACID ESTERS, THEIR PREPARATION AND USE CELAMERCK GmbH & Co. KG (DE) 1987-01-21 EP disclosed
EP-0097854-A1 Thiolphosphoric-acid esters, their preparation and use CELAMERCK GmbH & Co. KG (DE) 1984-01-11 EP disclosed