SCHEMBL7938446

SCHEMBL7938446

O=C(c1ccccc1)c1ccc(Cc2ccc(O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.68
RAB9A P51151 2/20 0.68
ESR1 P03372 2/20 0.60
ESR2 Q92731 2/20 0.60
HTT P42858 2/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
SRD5A2 P31213 4/20 0.57
CES2 O00748 1/20 0.57
ALDH1A1 P00352 2/20 0.56
PLA2G10 O15496 1/20 0.55
PLA2G2A P14555 1/20 0.55
LIG1 P18858 1/20 0.55
NPC1 O15118 1/20 0.55
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL8094666 0.92 ALDH1A1 (0.67) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL4004691 0.90 LMNA (0.67) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL1247035 0.87 PLA2G10 (0.69) LMNAKMT2ASRD5A2ALDH1A1PLA2G10
SCHEMBL9400453 0.87 MEN1 (0.86) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL7938553 0.87 MEN1 (0.86) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL124916 0.87 MEN1 (0.86) LMNAMEN1KMT2AMAPTRAB9A
Benzophenone SCHEMBL27537831 0.87 MEN1 (0.86) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL11130008 0.85 MEN1 (0.83) LMNAMEN1KMT2AMAPTRAB9A
Potassium SCHEMBL38662363 0.85 MEN1 (0.83) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL7854225 0.85 MEN1 (0.83) LMNAMEN1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed