SCHEMBL21462

SCHEMBL21462

[c]1cccc2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
HTT P42858 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.33
GAA P10253 1/20 0.33
ADRB1 P08588 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4574231 0.94 LMNA (0.56) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL4573750 0.94 LMNA (0.56) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL106757 0.91 ITGB2 (0.41) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL4894 0.82
SCHEMBL2886599 0.79 ITGB2 (0.52) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL103524 0.71
SCHEMBL106035 0.71
SCHEMBL2542461 0.71 LMNA (0.34) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL3417718 0.71 SMN1; SMN2 (0.48) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL3292005 0.70

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

Appears in 5869 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141554-A1 COMPOUNDS AFFECTING KRAS UNIVERSITAT DE BARCELONA (ES) 2024-07-04 WO claimed
EP-4393908-A1 BIS-PYRAZOLYL-METHANE COMPOUNDS AFFECTING KRAS Universitat de Barcelona (ES) 2024-07-03 EP claimed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US claimed
CN-117820191-A Diphenylamine compound and preparation method, application and pharmaceutical composition thereof 复旦大学 2024-04-05 CN claimed
CN-117683014-A Thioxanthone photoinitiator containing chalcone structure and preparation and application thereof 大连理工大学 2024-03-12 CN claimed
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 US claimed
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US claimed
EP-4148053-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF The Global Alliance for TB Drug Development, Inc. (US) 2023-03-15 EP claimed
EP-3426255-B1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-11-30 EP claimed
CN-115322182-A Azole antifungal compound and application thereof 广西医科大学 2022-11-11 CN claimed
US-4399138-A DIURETICS, ADRENERGIC BLOCKING AND HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-16 US claimed
EP-0057572-A1 Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-08-11 EP claimed
EP-0028355-A1 1,2-Oxazolylalkyl carbamates, their preparation, their use as herbicides, and herbicides BASF Aktiengesellschaft (DE) 1981-05-13 EP claimed
US-4221807-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-09 US claimed
US-4140681-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1979-02-20 US claimed
US-4131673-A INHIBITION AND SUPPRESSION OF THROMBOSIS IN MAMMALS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1978-12-26 US claimed
US-4125604-A PEPTIDES, ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-11-14 US claimed
US-4101653-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-18 US claimed
US-4093712-A ANTITHROMBOGENIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-06 US claimed
US-4066773-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-03 US claimed