SCHEMBL11682136

SCHEMBL11682136

CCC(C)c1cc(C(C)CC)c(C(C)CC)c(C(C)CC)c1C(C)CC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
RORC P51449 1/20 0.39
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL11528026 0.84 TSHR (0.50) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL11683236 0.83 TSHR (0.50) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL11682514 0.81 TSHR (0.50) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL11684933 0.80 TSHR (0.40) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL11682699 0.80 TSHR (0.38) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL116802 0.72 AR (0.44) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL2371854 0.72 TSHR (0.58) TSHRRORCPKMHPGDHDAC4
SCHEMBL909852 0.70 TSHR (0.55) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL15914782 0.70 TSHR (0.41) TSHRRORC
SCHEMBL9623205 0.69 GABRA1 (0.39) TSHRRORC

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-4005156-A Novel flame retardant compositions of matter UNIVERSAL OIL PRODUCTS COMPANY (US) 1977-01-25 US disclosed