SCHEMBL11200655

SCHEMBL11200655

CN(CCO)Cc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
AKR1C3 P42330 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SIGMAR1 Q99720 2/20 0.39

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
Hydrochloric Acid SCHEMBL11201753 0.98 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3AKR1C3KMT2A
SCHEMBL11808128 0.82 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3AKR1C3KMT2A
Bromide SCHEMBL8586980 0.81 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3AKR1C3KMT2A
Benzophenone SCHEMBL2321915 0.80 KMT2A (0.58) KMT2AGAASMN1; SMN2NPC1HPGD
SCHEMBL28044280 0.75 AKR1C3 (0.53) AKR1C3CYP19A1GAAMAPTL3MBTL1
SCHEMBL11208187 0.75 AKR1C3 (0.50) AKR1C3KMT2AGAAMAPTNPC1
SCHEMBL29898649 0.75 AKR1C3 (0.57) AKR1C3CYP19A1GAAMAPTHPGD
SCHEMBL29881091 0.75 AKR1C3 (0.57) AKR1C3KMT2ACYP19A1GAAMAPT
SCHEMBL417620 0.75 AKR1C3 (0.57) AKR1C3CYP19A1GAAMAPTHPGD
SCHEMBL723171 0.75 AKR1C3 (0.57) AKR1C3KMT2ACYP19A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033585-B1 A PROCESS FOR THE PREPARATION OF A BENZHYDROL DERIVATIVE AND A NOVEL INTERMEDIATE FOR USE THEREIN Farmos-Yhtyma Oy (FI) 1983-04-20 EP claimed
EP-0033585-B1 A PROCESS FOR THE PREPARATION OF A BENZHYDROL DERIVATIVE AND A NOVEL INTERMEDIATE FOR USE THEREIN Farmos-Yhtyma Oy (FI) 1983-04-20 EP disclosed
EP-0033585-A1 A process for the preparation of a benzhydrol derivative and a novel intermediate for use therein Farmos-Yhtyma Oy (FI) 1981-08-12 EP disclosed
EP-0033585-A1 A process for the preparation of a benzhydrol derivative and a novel intermediate for use therein Farmos-Yhtyma Oy (FI) 1981-08-12 EP disclosed