SCHEMBL9435552

SCHEMBL9435552

CCCCCCCCN(CCCCCCCC)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
CCKBR P32239 3/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
TSHR P16473 2/20 0.54
CNR2 P34972 1/20 0.51
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PTBP1 P26599 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
EGFR P00533 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL10888068 0.90 CNR1 (0.53) CCKBRCA12CA1CA2CA9
SCHEMBL10890006 0.89 PPARG (0.57) GAACCKBRCA12CA1CA2
SCHEMBL10595693 0.87 GAA (0.61) GAACA12CA1CA2CA9
SCHEMBL25276969 0.84 CA12 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL9435656 0.84 CA12 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL10596306 0.83 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL13018713 0.83 HDAC6 (0.67) GAACNR2ALDH1A1NPSR1EGFR
SCHEMBL9435378 0.82 CNR1 (0.56) GAACA12CA1CA2CA9
SCHEMBL10889452 0.81 HDAC6 (0.65) GAALMNAALDH1A1NPSR1EGFR
SCHEMBL9435704 0.80 GAA (0.68) GAATSHRLMNAALDH1A1NPSR1

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
US-5283362-A Reacting with an amine, terminating the reaction before the formation of by-product CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1994-02-01 US disclosed
EP-0239170-A1 Stabilized lactam polymerization solutions DSM RIM NYLON V.O.F (NL) 1987-09-30 EP disclosed
US-4694039-A Stabilized lactam polymerization solutions DSM RIM NYLON V.O.F. (NL) 1987-09-15 US disclosed
US-4672085-A LACTAM SUBSTITUTED POLYBUTADIENE INITIATOR,TRISUBTITED UREA STABILIZER;NYLON BLOCK COPOLYMERS DSM RIM NYLON VOF (NL) 1987-06-09 US disclosed