SCHEMBL9167908

SCHEMBL9167908

CCN(CCOc1ccc(Cc2ccccc2)cc1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LTB4R Q15722 2/20 0.45
LTB4R2 Q9NPC1 2/20 0.45
ATM Q13315 3/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9156745 0.92 TSHR (0.48) LTA4HHPGDNPC1TSHRRAB9A
SCHEMBL9158191 0.87 NPC1 (0.45) LTA4HHPGDNPC1TSHRRAB9A
SCHEMBL9163526 0.87 LTA4H (0.48) LTA4HNPC1RAB9ASMN1; SMN2LTB4R
SCHEMBL9163338 0.87 LTA4H (0.50) LTA4HHPGDNPC1TSHRRAB9A
SCHEMBL9157407 0.86 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2LTB4R
SCHEMBL9283299 0.86 LTA4H (0.47) LTA4HLTB4RLTB4R2ATMKDM4E
SCHEMBL9160178 0.86 LTA4H (0.49) LTA4HHPGDNPC1TSHRRAB9A
SCHEMBL9158338 0.85 LTA4H (0.53) LTA4HLTB4RLTB4R2ATMKDM4E
SCHEMBL9163462 0.83 LTA4H (0.47) LTA4HHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9165681 0.83 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460472-B1 Carbamic acid derivatives, their production and use SUMITOMO CHEMICAL CO (JP) 1995-03-08 EP claimed