SCHEMBL7072860

SCHEMBL7072860

O=C(O)CC1Cc2cc(Cl)ccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.59
SIGMAR1 Q99720 3/20 0.50
HTR1A P08908 5/20 0.47
HTR2A P28223 5/20 0.47
HTR2C P28335 5/20 0.47
HTR7 P34969 5/20 0.47
DRD3 P35462 5/20 0.47
DRD2 P14416 4/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
DRD4 P21917 4/20 0.44
CYP19A1 P11511 1/20 0.44
ACHE P22303 2/20 0.43
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
DGAT1 O75907 1/20 0.42
SLC6A4 P31645 2/20 0.42
DRD1 P21728 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40

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
SCHEMBL27236983 0.88 METAP1 (0.46) METAP1SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL9048859 0.86 CYP19A1 (0.58) METAP1CYP19A1ACHEDGAT1ITGB3
SCHEMBL6272440 0.83 METAP1 (0.65) METAP1SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL16142397 0.83 METAP1 (0.64) METAP1SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL9243642 0.82 METAP1 (0.59) METAP1CYP19A1SRD5A1SRD5A2DGAT1
SCHEMBL10756226 0.82 CYP26A1 (0.45) METAP1CYP19A1DGAT1ITGB3ITGA2B
SCHEMBL6268218 0.82 HTR2C (0.51) METAP1SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL27236990 0.81 HTR1A (0.41) METAP1HTR1AHTR2AHTR2CHTR7
SCHEMBL28526984 0.80 HTR2A (0.43) METAP1HTR1AHTR2AHTR2CHTR7
SCHEMBL8601600 0.80 METAP1 (0.65) METAP1SIGMAR1HTR1AHTR2AHTR2C

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
EP-1105367-B1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS BAYER AG (DE) 2003-06-18 EP disclosed
US-6455725-B1 Substituted cinnamic acids and cinnamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US disclosed
EP-1105367-A1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS Bayer Aktiengesellschaft (DE) 2001-06-13 EP disclosed
WO-2000010963-A1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed
US-4443626-A ANTIINFLAMMATORY, ANTIALLERGENS, ANALGESICS, ANTICOAGULANTS, ANTIPRETICS, OR ANTICHOLESTEROL AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1984-04-17 US disclosed