SCHEMBL6429889

SCHEMBL6429889

Cc1cc(C)c(C(=O)PCC(C)C)c(C)c1.c1ccc(C2CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CHRM2 P08172 8/20 0.38
CHRM3 P20309 6/20 0.38
CHRM4 P08173 4/20 0.38
CHRM1 P11229 4/20 0.38
PARP1 P09874 1/20 0.35
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.33
CHRM5 P08912 6/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
FFAR1 O14842 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL5167522 0.80 HPGD (0.39) HPGDNPSR1MCOLN3ALDH1A1SMN1; SMN2
SCHEMBL5997139 0.71 L3MBTL1 (0.36) HPGDALDH1A1SMN1; SMN2
SCHEMBL5997152 0.68 HTR1D (0.34) TSHRHPGDALDH1A1
Bicarbonate SCHEMBL26676303 0.67 TSHR (0.81) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL5994814 0.66 MEN1 (0.31)
Methyl Alcohol SCHEMBL8766879 0.66 TSHR (0.85) TSHRCHRM2CHRM3CHRM4CHRM1
Hydrogen Peroxide SCHEMBL28927927 0.66 TSHR (0.94) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL27634886 0.66 L3MBTL1 (0.42) HPGDALDH1A1SMN1; SMN2
SCHEMBL5995441 0.65 KMT2A (0.40) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL28172322 0.65 TSHR (0.57) TSHRCHRM2CHRM3CHRM4CHRM1

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-6969733-B2 Photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-11-29 US disclosed
US-6737549-B2 PHOTOINITIATORS FOR ACRYLATE COATINGS CIBA SPECIALTY CHEMICALS CORPORATION 2004-05-18 US disclosed