SCHEMBL7389229

SCHEMBL7389229

O=C(O)CCN1C=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
GLA P06280 1/20 0.33
ACE P12821 1/20 0.33
EGLN3 Q9H6Z9 3/20 0.32
MAPK1 P28482 3/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
APEX1 P27695 1/20 0.31
LMNA P02545 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31

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
SCHEMBL28340567 0.89 CYP1A2 (0.40) ALDH1A1MAPK1FABP4FABP5KDM4E
SCHEMBL28295967 0.87 PTGS1 (0.40) ALDH1A1MAPK1FABP4FABP5MEN1
SCHEMBL3740352 0.79 HTT (0.30)
Butyric Acid SCHEMBL28965470 0.79 GPR84 (0.42) ALDH1A1FABP3FABP4FABP5MAPT
SCHEMBL28141190 0.78
Hydrochloric Acid SCHEMBL6274273 0.78
SCHEMBL28266336 0.78
Bromide SCHEMBL16412115 0.78
Oxalic Acid SCHEMBL28748123 0.76
Bicarbonate SCHEMBL29505196 0.76 GBA2 (0.35)

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-0070092-A1 Stabilising materials for halogen-containing polymers, polymer compositions containing the same and shaped articles formed therefrom MORTON THIOKOL, INC. (US) 1983-01-19 EP claimed
CN-105025709-A Aqueous suspended pesticide composition SUMITOMO CHEMICAL CO 2015-11-04 CN disclosed
CN-104411169-A Microcapsule SUMITOMO CHEMICAL CO 2015-03-11 CN disclosed
CN-104411166-A Pesticidal compositions in the form of aqueous emulsions SUMITOMO CHEMICAL CO 2015-03-11 CN disclosed
WO-2003053487-A1 ABSORBENT ARTICLE BASF AKTIENGESELLSCHAFT (DE) 2003-07-03 WO disclosed
WO-2002094328-A2 DOUBLE-SIDED COATED FIBROUS WEB ABSORBENT ARTICLE BASF AKTIENGESELLSCHAFT (DE) 2002-11-28 WO disclosed
WO-2002094329-A1 ODOR CONTROL CONTAINING ABSORBENT MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2002-11-28 WO disclosed