SCHEMBL11701337

SCHEMBL11701337

CCC(C)c1ccc(O)c(C(C)CC)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
RORC P51449 1/20 0.47
USP2 O75604 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL26085068 0.84 TSHR (0.55) TSHRRORCUSP2HPGDHSD17B10
SCHEMBL909852 0.84 TSHR (0.55) TSHRRORCUSP2HPGDHSD17B10
SCHEMBL28724211 0.81 TSHR (0.54) TSHRRORCUSP2HPGDHSD17B10
Benzene SCHEMBL1840471 0.81 TSHR (0.57) TSHRRORCUSP2HPGDHSD17B10
SCHEMBL28647277 0.79 TSHR (0.50) TSHRRORCUSP2HPGDHSD17B10
SCHEMBL10997664 0.78 TSHR (0.53) TSHRRORCUSP2HPGDHSD17B10
SCHEMBL27929169 0.78 TSHR (0.44) TSHRRORCUSP2HPGDHSD17B10
SCHEMBL10779462 0.76 TSHR (0.45) TSHRRORCUSP2HPGDHSD17B10
SCHEMBL10780955 0.76 TSHR (0.50) TSHRRORCUSP2HPGDHSD17B10
SCHEMBL355986 0.74 TSHR (0.70) TSHRRORCUSP2HPGDHSD17B10

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
US-4013473-A THERMOGRAPHY, SUBSTITUTED PHENOL REDUCING AGENT AGFA-GEVAERT N.V. (BE) 1977-03-22 US disclosed