SCHEMBL9503496

SCHEMBL9503496

CCCCc1ccsc1Oc1ccc(CCl)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PLA2G4A P47712 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LTB4R Q15722 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 1/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LTA4H P09960 3/20 0.32
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9501893 0.91 ALDH1A1 (0.36) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL9505724 0.85 SMN1; SMN2 (0.36) LTB4RRAB9AALDH1A1NPC1HPGD
SCHEMBL9502103 0.76 LTA4H (0.44) S1PR1S1PR3RAB9AALDH1A1LTA4H
SCHEMBL9505033 0.75 SMN1; SMN2 (0.37) ALDH1A1TP53
SCHEMBL9505096 0.75 GSK3B (0.35)
SCHEMBL9502761 0.72 THRB (0.49) ALDH1A1LTA4HTP53
SCHEMBL9503546 0.71 ALDH1A1 (0.35) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL11601586 0.70 TYR (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9501783 0.70 ESR1 (0.52) ALDH1A1TP53
SCHEMBL27733095 0.70 CTRC (0.36) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
EP-0132606-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
US-4612323-A Insecticidal and acaricidal derivatives of 1-benzylbenzimidazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
EP-0132606-A1 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-02-13 EP disclosed