SCHEMBL7444953

SCHEMBL7444953

Cc1ccc(-c2ccc(C(CCC(=O)O)=NO)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
RARB P10826 1/20 0.43
FFAR4 Q5NUL3 3/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
S1PR1 P21453 2/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ADH5 P11766 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
APP P05067 2/20 0.36
PTGS2 P35354 1/20 0.36
DGAT1 O75907 2/20 0.35

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
SCHEMBL7444948 1.00 KMT2A (0.44) KMT2ARARBFFAR4MAPTHTT
SCHEMBL7440277 0.90 ALDH1A1 (0.43) KMT2ARARBALDH1A1HPGDS1PR1
SCHEMBL7440265 0.90 ALDH1A1 (0.43) KMT2ARARBALDH1A1HPGDS1PR1
SCHEMBL7433362 0.88 APP (0.44) KMT2ARARBALDH1A1HPGDS1PR1
SCHEMBL7433367 0.88 APP (0.44) KMT2ARARBALDH1A1HPGDS1PR1
SCHEMBL7446294 0.88 S1PR1 (0.44) KMT2ARARBMAPTSMN1; SMN2FFAR1
SCHEMBL7446292 0.88 S1PR1 (0.44) KMT2ARARBMAPTSMN1; SMN2FFAR1
SCHEMBL7443647 0.87 MCHR1 (0.42) RARBADH5
SCHEMBL7448419 0.87 ALDH1A1 (0.47) KMT2ARARBMAPTHTTSMN1; SMN2
SCHEMBL7437491 0.87 MCHR1 (0.42) RARBADH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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