SCHEMBL9753130

SCHEMBL9753130

CCCCCCCCCCCc1ccc(C(C)CCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.60
KCNH2 Q12809 1/20 0.51
S1PR2 O95136 2/20 0.49
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 1/20 0.48
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47

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
SCHEMBL6546798 0.83 TP53 (0.52) HTR2AKCNH2ADRA2ASLC6A2SLC6A3
SCHEMBL7184667 0.82 KCNH2 (0.69) HTR2AKCNH2ESR1ADRA2AADORA3
SCHEMBL11767109 0.81 HTR2A (0.71) HTR2AKCNH2S1PR2S1PR1ESR1
SCHEMBL5200395 0.81 HTR2A (0.71) HTR2AKCNH2S1PR2S1PR1ESR1
SCHEMBL24021959 0.81 HTR2A (0.56) HTR2AS1PR1S1PR3ESR1ADRA2A
SCHEMBL28827751 0.81 HTR2A (0.56) HTR2AS1PR1S1PR3ESR1ADRA2A
Isobutane SCHEMBL28163284 0.80 KCNH2 (0.61) HTR2AKCNH2ESR1ADRA2AADORA3
SCHEMBL5200397 0.80 KCNH2 (0.67) HTR2AKCNH2ESR1ADRA2AADORA3
SCHEMBL1324113 0.80 RIPK1 (0.55) KCNH2SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4465463 0.80 KCNH2 (0.71) HTR2AKCNH2ESR1ADRA2AADORA3

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