SCHEMBL9536359

SCHEMBL9536359

O=C(Cl)c1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.64
KMT2A Q03164 2/20 0.61
ESR1 P03372 2/20 0.61
ESR2 Q92731 2/20 0.61
MEN1 O00255 1/20 0.61
LTA4H P09960 3/20 0.52
NR1H2 P55055 1/20 0.52
BAX Q07812 1/20 0.52
HPGD P15428 4/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PARP15 Q460N3 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP16 Q8N5Y8 1/20 0.50
PARP11 Q9NR21 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL272345 0.91 PARP10 (0.58) PARP10KMT2AHPGDMAPTALDH1A1
SCHEMBL9786679 0.91 PARP10 (0.58) PARP10KMT2AHPGDMAPTALDH1A1
Hydroquinone SCHEMBL7948998 0.86 LMNA (0.60) KMT2AESR1ESR2MEN1HPGD
SCHEMBL1454951 0.86 LMNA (0.60) KMT2AESR1ESR2MEN1HPGD
SCHEMBL9578958 0.84 KMT2A (0.70) PARP10KMT2AESR1ESR2MEN1
SCHEMBL11511385 0.83 MMP1 (0.53) PARP10KMT2AMEN1HPGDMAPT
SCHEMBL9249310 0.83 PARP10 (0.64) PARP10KMT2ALTA4HNR1H2BAX
SCHEMBL21786 0.83 PARP10 (0.64) PARP10KMT2ALTA4HNR1H2BAX
SCHEMBL8671184 0.82 PARP10 (0.69) PARP10KMT2AESR1ESR2MEN1
SCHEMBL10486226 0.82 MAPT (0.71) PARP10KMT2AESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178184-B1 PREPARATION OF AROMATIC CARBONYL COMPOUNDS RAYCHEM CORPORATION (a Delaware corporation) (US) 1993-04-28 EP disclosed
US-5068447-A Friedel-crafts preparation of aromatic ketones with an inoganic salt controlling agent RAYCHEM CORPORATION (US) 1991-11-26 US disclosed
EP-0262919-B1 PREPARATION OF ARYL CARBONYL COMPOUNDS RAYCHEM LIMITED (GB) 1991-09-11 EP disclosed
US-4898983-A FRIEDEL-CRAFTS PROCESS; LEWIS ACIDS, BY-PRODUCT INHIBITION; ACID HALIDES, ACTIVE HYDROGEN AROMATIC COMPONENTS; CONTROLLING AGENTS RAYCHEM LIMITED (GB) 1990-02-06 US disclosed
US-4814508-A Friedel-crafts preparation of aromatic ketones RAYCHEM CORPORATION (US) 1989-03-21 US disclosed
EP-0262919-A2 Preparation of aryl carbonyl compounds RAYCHEM LIMITED (GB) 1988-04-06 EP disclosed
EP-0178184-A1 Preparation of aromatic carbonyl compounds RAYCHEM CORPORATION (a Delaware corporation) (US) 1986-04-16 EP disclosed