SCHEMBL9753129

SCHEMBL9753129

CCCCCCCCCCCc1ccc([C](C)CCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.56
THRB P10828 4/20 0.56
RARB P10826 5/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
RARA P10276 1/20 0.54
MAPT P10636 1/20 0.54
MTOR P42345 1/20 0.54
KMT2A Q03164 1/20 0.54
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
SHBG P04278 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL11780717 0.86 THRA (0.58) THRATHRBRARBALDH1A1MEN1
Hydrogen Peroxide SCHEMBL15515419 0.82 KCNH2 (0.69) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL7184667 0.82 KCNH2 (0.69) ALDH1A1ESR1ADRA2AADORA3TACR2
Octane SCHEMBL11237744 0.81 KCNH2 (0.62) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL27296734 0.81 KCNH2 (0.62) ALDH1A1ESR1ADRA2AADORA3TACR2
Methyl Alcohol SCHEMBL28457868 0.80 KCNH2 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL5200397 0.80 KCNH2 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
Methyl Alcohol SCHEMBL28457600 0.80 KCNH2 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
Methyl Alcohol SCHEMBL28454434 0.80 KCNH2 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
Methyl Alcohol SCHEMBL27651723 0.80 KCNH2 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037896-A Selective catalytic process for preparing N-halothiosulfonamide modified polyolefins EXXON CHEMICAL PATENTS INC. (US) 1991-08-06 US claimed
WO-1991009064-A2 SELECTIVE CATALYTIC PROCESS FOR PREPARING N-HALOTHIOSULFONAMIDE MODIFIED POLYOLEFINS EXXON CHEMICAL PATENTS INC. (US) 1991-06-27 WO claimed
EP-0403604-A1 SELECTIVE CATALYTIC PROCESS FOR PREPARING N-HALOTHIOSULFONAMIDE MODIFIED TERPOLYMERS AND CATALYSTS THEREFOR EXXON CHEMICAL PATENTS INC. (US) 1990-12-27 EP claimed
US-4956420-A USING A COPPER, ANTIMONY, BISMITH OR TIN SALT OF AN ORGANIC MONO-OR POLYCARBOXYLIC ACID EXXON CHEMICAL PATENTS INC. (US) 1990-09-11 US claimed
WO-1990002765-A2 SELECTIVE CATALYTIC PROCESS FOR PREPARING N-HALOTHIOSULFONAMIDE MODIFIED TERPOLYMERS AND CATALYSTS THEREFOR EXXON CHEMICAL PATENTS INC. (US) 1990-03-22 WO claimed