SCHEMBL5510892

SCHEMBL5510892

COc1ccc2c(C)cccc2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.59
CYP2A6 P11509 3/20 0.57
ALDH1A1 P00352 2/20 0.50
FLT3 P36888 1/20 0.48
ACHE P22303 3/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MAPT P10636 1/20 0.45
IDH1 O75874 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
Acetic Acid SCHEMBL7936063 0.90 MTNR1A (0.53) CYP1A2CYP2A6ALDH1A1FLT3MTNR1A
Acetic Acid SCHEMBL9228333 0.88 MTNR1A (0.52) CYP1A2CYP2A6ALDH1A1FLT3MTNR1A
Acetic Acid SCHEMBL27085298 0.87 MTNR1A (0.51) CYP1A2CYP2A6FLT3MTNR1AMTNR1B
Acetic Acid SCHEMBL9228337 0.87 MTNR1A (0.51) CYP1A2CYP2A6FLT3MTNR1AMTNR1B
SCHEMBL22978760 0.87 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1FLT3ACHE
SCHEMBL13241099 0.85 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1MAPTCYP11B1
SCHEMBL4203130 0.84 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1ACHEMTNR1A
SCHEMBL13241108 0.84 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1ACHE
SCHEMBL18813852 0.81 LTA4H (0.51) CYP1A2MAPTCYP11B1CYP11B2
SCHEMBL22259139 0.80 CYP1A2 (0.49) CYP1A2CYP2A6ALDH1A1FLT3MTNR1A

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4556559-A CLAVULANIC ACID ESTER, PENICILLIN BEECHAM GROUP P.L.C. (GB) 1985-12-03 US claimed
US-4428937-A OXAPENICILLINS; BETA-LACTAMASE INHIBITORS BEECHAM GROUP LIMITED (GB) 1984-01-31 US claimed
US-4427690-A B-LACTAM ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1984-01-24 US claimed
EP-0002370-B1 A PROCESS FOR THE PREPARATION OF ETHER DERIVATIVES OF CLAVULANIC ACID BEECHAM GROUP PLC (GB) 1983-05-11 EP claimed
EP-0002370-A1 A process for the preparation of ether derivatives of clavulanic acid BEECHAM GROUP PLC (GB) 1979-06-13 EP claimed
US-4098897-A ANTI BACTERIAL AGENTS BEECHAM GROUP LIMITED (GB) 1978-07-04 US claimed
JP-8268972-A None JP disclosed
WO-2024109919-A1 PYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 盛睿泽华医药科技(苏州)有限公司 2024-05-30 WO disclosed
CN-115160098-B Oxygen-containing compound deoxidization methylation method 中国科学院兰州化学物理研究所 2023-06-06 CN disclosed
WO-2022271562-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-12-29 WO disclosed
CN-115160098-A Oxygen-containing compound deoxidation and methylation method 中国科学院兰州化学物理研究所 2022-10-11 CN disclosed
US-10043978-B2 Organic semiconductor formulations FLEXTERRA, INC. (US) 2018-08-07 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-4297345-A DEOXY- AND ISODEOXYCLAVULANIC ACID SYMERGISTIC WITH PENICILLIN AND CEPHALOSPORIN ANDITIOTICS BEECHAM GROUP LIMITED (GB) 1981-10-27 US disclosed
US-4232005-A OXAPENICILLINS; SYNERGISTIC BEECHAM GROUP LIMITED (GB) 1980-11-04 US disclosed
EP-0002370-A1 A process for the preparation of ether derivatives of clavulanic acid BEECHAM GROUP PLC (GB) 1979-06-13 EP disclosed
US-4140764-A ISOCLAVULANIC ACID OR SALT, OXAPENICILLINS IN COMBINATION WITH PENCILLINS OR CEPHALOSPORINS BEECHAM GROUP LIMITED (GB) 1979-02-20 US disclosed
US-4123540-A Isoclavulanic acid as an antibacterial and a β-lactamase inhibitor BEECHAM GROUP LIMITED (GB) 1978-10-31 US disclosed
US-4110165-A CULTIVATION OF STREPTOMYCES CLAVULIGERIS BEECHAM GROUP LIMITED (GB) 1978-08-29 US disclosed
US-4098897-A ANTI BACTERIAL AGENTS BEECHAM GROUP LIMITED (GB) 1978-07-04 US disclosed