SCHEMBL9505094

SCHEMBL9505094

CCOC(=O)NCCOc1ccc(CC(CC)CC)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
ADRB3 P13945 2/20 0.41
CSNK2A1 P68400 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 2/20 0.40
PPARD Q03181 1/20 0.40
NPC1 O15118 1/20 0.40
HRH4 Q9H3N8 1/20 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
SCHEMBL9163241 0.84 TSHR (0.61) SMN1; SMN2TSHRL3MBTL1ALDH1A1S1PR2
SCHEMBL8959043 0.82 KMT2A (0.46) SMN1; SMN2ALDH1A1S1PR2S1PR1S1PR3
SCHEMBL9158248 0.82 LTA4H (0.49) SMN1; SMN2TSHRL3MBTL1ALDH1A1KMT2A
SCHEMBL9163468 0.80 SMN1; SMN2 (0.47) SMN1; SMN2TSHRL3MBTL1ALDH1A1S1PR2
SCHEMBL9503004 0.80 L3MBTL1 (0.44) SMN1; SMN2TSHRL3MBTL1ALDH1A1KMT2A
SCHEMBL9156925 0.77 TSHR (0.51) SMN1; SMN2TSHRL3MBTL1ALDH1A1KMT2A
SCHEMBL7634000 0.77 TSHR (0.44) SMN1; SMN2TSHRALDH1A1KMT2AMEN1
SCHEMBL8784367 0.76 KLKB1 (0.52)
SCHEMBL9157608 0.76 L3MBTL1 (0.53) SMN1; SMN2TSHRL3MBTL1ALDH1A1HPGD
SCHEMBL9161662 0.75 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1

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
JP-5140075-A None JP disclosed
JP-H05140075-A 2-(2-CHLORO-4-SUBSTITUTED-METHYLPHENOXY)ETHYL CARBAMIC ACID DERIVATIVE, ITS PRODUCTION, ITS INTERMEDIATE AND NOXIOUS LIFE CONTROLLING AGENT CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1993-06-08 JP disclosed