SCHEMBL7741571

SCHEMBL7741571

ClCCC1CCCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
SIGMAR1 Q99720 3/20 0.44
HPGD P15428 1/20 0.37
CHRM5 P08912 2/20 0.36
ADRA2C P18825 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
METAP1 P53582 1/20 0.35
EPHX1 P07099 1/20 0.34
CEL P19835 1/20 0.34
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL1553552 1.00
SCHEMBL7733156 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDCHRM5ADRA2C
SCHEMBL6605651 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDCHRM5ADRA2C
SCHEMBL7737966 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1HPGDCHRM5ADRA2C
SCHEMBL3072220 0.97
SCHEMBL7712025 0.90
Bicarbonate SCHEMBL28465297 0.87 HPGD (0.44) CYP1A2HPGDMETAP1EPHX1
SCHEMBL10887893 0.83 ALDH1A1 (0.31)
SCHEMBL6042860 0.83
SCHEMBL633220 0.82 CYP1A2 (0.56) CYP1A2SIGMAR1HPGDEPHX1CEL

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-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 US disclosed