SCHEMBL7438770

SCHEMBL7438770

O=C(O)CCC(O)c1ccc(-c2ccc(Cl)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
GCG P01275 3/20 0.39
GCGR P47871 4/20 0.38
MDM2 Q00987 2/20 0.38
MME P08473 1/20 0.38
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
KCNH2 Q12809 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL11759144 0.78 ANPEP (0.42) FFAR1ADRB1ADRB3KDM4E
SCHEMBL4427857 0.77 FFAR1 (0.48) FFAR1MMEKDM4EALDH1A1MAPT
SCHEMBL7432704 0.76 APP (0.47) FFAR1GCGRADRB1ADRB3MAPT
SCHEMBL23668199 0.75 FFAR1 (0.43) FFAR1MMEHTR2CHTR2BERCC5
SCHEMBL28033030 0.74 ADRA2A (0.39) ADRB1ADRB3KDM4EALDH1A1MAPT
SCHEMBL11761735 0.73 APP (0.44) FFAR1GCGRADRB1ADRB3MAPT
SCHEMBL11495829 0.72 CES2 (0.46) ALDH1A1
SCHEMBL7115734 0.72 GABBR2 (0.47) ALDH1A1
SCHEMBL9296576 0.72 CES2 (0.35) ALDH1A1
SCHEMBL11761553 0.71 S1PR1 (0.46) FFAR1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265432-B1 CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT 2001-07-24 US disclosed
US-6169103-B1 FOR TREATMENT OF ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURISM, HEART FAILURE, ULCERS, CANCER, INFLAMMATION, PAIN, ARTHRITIS, OSTEOPOROSIS, AND OTHER AUTOIMMUNE OR INFLAMMATORY DISORDERS DEPENDENT UPON TISSUE INVASION BY LEUKOCYTES WARNER-LAMBERT 2001-01-02 US disclosed