SCHEMBL9486396

SCHEMBL9486396

Cl[C](Cl)C(Cl)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
SCN4A P35499 2/20 0.47
MAOA P21397 1/20 0.44
PTGS1 P23219 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
CYP2D6 P10635 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KCNA3 P22001 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL3728369 0.82 PPARG (0.54) LMNASCN4AMAOAPTGS1PPARG
SCHEMBL9243828 0.80 ALDH1A1 (0.50) LMNAPPARGPPARAALDH1A1RECQL
SCHEMBL421712 0.78 LMNA (0.63) LMNASCN4AMAOAPTGS1PPARG
SCHEMBL9808111 0.78 LMNA (0.56) LMNASCN4AMAOAPTGS1PPARG
SCHEMBL7688616 0.78 LMNA (0.56) LMNASCN4AMAOAPTGS1PPARG
SCHEMBL10654221 0.76 MTNR1A (0.53) LMNAMAOAPTGS1PPARGPPARA
SCHEMBL2856045 0.75 LMNA (0.59) LMNASCN4AMAOAPTGS1PPARG
SCHEMBL11247436 0.74 MTNR1A (0.51) LMNAMAOAPTGS1PPARGPPARA
SCHEMBL7100611 0.74 LMNA (0.52) LMNASCN4AMAOAPTGS1PPARG
SCHEMBL9123715 0.74 LMNA (0.63) LMNASCN4AMAOAPTGS1ALDH1A1

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-5192767-A Nonphytotoxic BASF AKTIENGESELLSCHAFT (DE) 1993-03-09 US disclosed
EP-0189774-A1 Process for production of N,N-disubstituted carboxylic acid amides TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-08-06 EP disclosed