SCHEMBL9586178

SCHEMBL9586178

CCOc1ccc([C]2CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.64
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ LMNA P02545 1/20 0.48
▸ LTA4H P09960 2/20 0.48
▸ RAB9A P51151 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TP53 P04637 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HSD17B10 Q99714 4/20 0.44
▸ XDH P47989 1/20 0.44

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
SCHEMBL5833291 0.83 NQO1 (0.82) NQO1TSHRTDP1LTA4HRAB9A
SCHEMBL9155582 0.83 NQO1 (0.82) NQO1TSHRTDP1LTA4HRAB9A
SCHEMBL18417193 0.83 NQO1 (0.82) NQO1TSHRTDP1LTA4HRAB9A
1,4-Diethoxybenzene SCHEMBL28186701 0.80 NQO1 (1.00) NQO1TSHRTDP1LTA4HKDM4E
1,4-Diethoxybenzene SCHEMBL124015 0.80 NQO1 (1.00) NQO1TSHRTDP1LTA4HKDM4E
1,4-Diethoxybenzene SCHEMBL11794798 0.77 NQO1 (0.93) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL13048467 0.76 NQO1 (0.70) NQO1TSHRTDP1LMNALTA4H
1,4-Diethoxybenzene SCHEMBL27616183 0.75 NQO1 (0.88) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL9152440 0.74 LTA4H (0.68) NQO1TSHRTDP1LTA4HRAB9A
SCHEMBL2492122 0.74 NQO1 (0.67) NQO1TSHRTDP1LTA4HRAB9A

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
CN-1026649-C Improved insecticide composition, method for the production thereof and use thereof BRITISH TECHNOLOGY GROUP CO LT (GB) 1994-11-23 — — CN claimed
CN-1021434-C PROCESS FOR PREPARING IMPROVED PESTICIDAL CHEMICAL COMPOUNDS NAT RES DEV (GB) 1993-06-30 — — CN claimed
EP-0179788-B1 PESTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-12 — — EP claimed
CN-1049843-A The preparation method of improved agricultural chemical compound NAT RES DEV (GB) 1991-03-13 — — CN claimed
US-4777185-A Phenyl phenoxyphenyl propenyl cyclopropane pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-10-11 — — US claimed
CN-85102916-A Improvements relating to pesticides — 1986-10-15 — — CN claimed
EP-0179788-A1 PESTICIDES. NAT RES DEV (GB) 1986-05-07 — — EP claimed
WO-1985004651-A1 IMPROVEMENTS RELATING TO PESTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-10-24 — — WO claimed
CN-1026649-C Improved insecticide composition, method for the production thereof and use thereof BRITISH TECHNOLOGY GROUP CO LT (GB) 1994-11-23 — — CN disclosed
US-5248834-A Pesticides BRITISH TECHNOLOGY GROUP LIMITED (GB) 1993-09-28 — — US disclosed
CN-1021434-C PROCESS FOR PREPARING IMPROVED PESTICIDAL CHEMICAL COMPOUNDS NAT RES DEV (GB) 1993-06-30 — — CN disclosed
CN-1049843-A The preparation method of improved agricultural chemical compound NAT RES DEV (GB) 1991-03-13 — — CN disclosed
US-4777185-A Phenyl phenoxyphenyl propenyl cyclopropane pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-10-11 — — US disclosed
EP-0049977-B1 INSECTICIDAL (1,1'-BIPHENYL)-3-YLMETHYL ESTERS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM FMC Corporation (US) 1986-02-26 — — EP disclosed
Send feedback