SCHEMBL7150826

SCHEMBL7150826

CCCc1ccc(CC)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KCNH2 Q12809 1/20 0.35
PRKCI P41743 1/20 0.34
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ADORA2A P29274 1/20 0.33
CA12 O43570 1/20 0.33
ELANE P08246 2/20 0.32
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 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
SCHEMBL7115183 0.85 PARP1 (0.37) NOS3NOS2ELANETP53
SCHEMBL13809555 0.78 NOS2 (0.43) NOS3NOS1NOS2KCNH2BACE1
SCHEMBL17878827 0.78 PDE10A (0.35) NOS3NOS1NOS2KCNH2PRKCI
SCHEMBL11728240 0.76 KCNH2 (0.55) NOS2KCNH2MAPTALDH1A1TSHR
SCHEMBL20369633 0.75 NOS3 (0.37) NOS3NOS1NOS2KCNH2BACE1
SCHEMBL22546299 0.75 KCNH2 (0.53) NOS2KCNH2MAPTTSHRTP53
SCHEMBL3653761 0.73 GABRP (0.53) KDM4EADORA2ANPC1ALDH1A1HPGD
SCHEMBL7573152 0.73 CCR1 (0.40) KDM4EHSD17B10PDE10AADORA2ACYP1A2
SCHEMBL30585580 0.73 CCR1 (0.40) KDM4EHSD17B10PDE10AADORA2ACYP1A2
SCHEMBL17431389 0.71 MEN1 (0.40) NOS3NOS2KDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521806-B1 Trimerizing ethylene in a 1-hexene solvent; catalyst is chromium compound with trialkylaluminum or dialkylaluminum hydride, a pyrrole compound, group IIIB-halogen compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-02-18 US disclosed
EP-0699648-B1 Process for producing 1-hexene SUMITOMO CHEMICAL CO (JP) 1998-04-22 EP disclosed
EP-0699648-A1 Process for producing 1-hexene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-03-06 EP disclosed
US-4620033-A CATALYST OF NICKEL COMPOUND, IODIDE COMPOUND AND PROMOTER OF TIN COMPOUND AND LITHIUM COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-10-28 US disclosed
US-4544511-A CATALYST CONTAINING NICKEL, HALIDES AND ORGANIC NITROGEN COMPOUND;COCATALYST OF METAL COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-10-01 US disclosed
EP-0065817-B1 PROCESS FOR PRODUCING CARBOXYLIC ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-07-24 EP disclosed
US-4517377-A DECOMPOSITION OF ETHYLIDENE DIACETATE, HALIDE CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-05-14 US disclosed
EP-0035860-B1 PROCESS FOR PRODUCING ETHYLIDENE DIACETATE AND/OR ACETALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-03-14 EP disclosed
EP-0048174-B1 PROCESS FOR PRODUCING VINYL ACETATE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-02-22 EP disclosed
EP-0068795-A1 Process for producing vinyl acetate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-01-05 EP disclosed
EP-0065817-A1 Process for producing carboxylic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-12-01 EP disclosed
EP-0055622-A1 Process for producing acetic anhydride MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-07-07 EP disclosed
EP-0048174-A1 Process for producing vinyl acetate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-03-24 EP disclosed
EP-0035860-A2 Process for producing ethylidene diacetate and/or acetaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1981-09-16 EP disclosed