SCHEMBL4670448

SCHEMBL4670448

Cc1ccc(C=CC(=O)O)c(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
NFKB1 P19838 2/20 0.48
MIF P14174 1/20 0.47
ESR1 P03372 2/20 0.46
HCAR2 Q8TDS4 2/20 0.42
PKM P14618 2/20 0.42
CA12 O43570 2/20 0.42
AKR1B10 O60218 2/20 0.42
CA3 P07451 2/20 0.42
AKR1B1 P15121 2/20 0.42
CA6 P23280 2/20 0.42
DPP4 P27487 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42

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
SCHEMBL11830369 0.87 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2CA1
SCHEMBL11830587 0.83 PTGER3 (0.71) PTGER1PTGER4PTGER3PTGER2CA1
SCHEMBL9658945 0.83 PTGER3 (0.71) PTGER1PTGER4PTGER3PTGER2CA1
SCHEMBL89145 0.80 CA1 (0.57) CA1CA2CA4NFKB1MIF
SCHEMBL89143 0.80 CA1 (0.57) CA1CA2CA4NFKB1MIF
SCHEMBL5613528 0.78 CA1 (0.46) PTGER1PTGER4PTGER3PTGER2CA1
SCHEMBL19913000 0.78 CA1 (0.46) PTGER1PTGER4PTGER3PTGER2CA1
SCHEMBL18797918 0.77 CA1 (0.52) CA1CA2CA4NFKB1MIF
SCHEMBL21317661 0.77 PKM (0.56) CA1CA2CA4NFKB1PKM
SCHEMBL22991749 0.76 CA1 (0.43) PTGER1PTGER4PTGER3PTGER2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883413-A2 METHOD OF PREVENTION AND TREATMENT OF AGING, AGE-RELATED DISORDERS AND/OR AGE-RELATED MANIFESTATIONS INCLUDING ATHEROSCLEROSIS, PERIPHERAL VASCULAR DISEASE, CORONARY ARTERY DISEASE, OSTEOPOROSIS, ARTHRITIS, TYPE 2 DIABETES, DEMENTIA, ALZHEIMER'S DISEASE AND CANCER Omoigui, Osemwota Sota (US) 2008-02-06 EP disclosed
US-20060275294-A1 METHOD OF PREVENTION AND TREATMENT OF AGING, AGE-RELATED DISORDERS AND/OR AGE-RELATED MANIFESTATIONS INCLUDING ATHEROSCLEROSIS, PERIPHERAL VASCULAR DISEASE, CORONARY ARTERY DISEASE, OSTEOPOROSIS, ARTHRITIS, TYPE 2 DIABETES, DEMENTIA, ALZHEIMERS DISEASE AND CANCER OMOIGUI OSEMWOTA S 2006-12-07 US disclosed
WO-2006121558-A2 METHOD OF PREVENTION AND TREATMENT OF AGING, A RELATED DISORDERS AND/OR AGE-RELATED MANIFESTATIONS INCLUDI R C EROSIS. OMOIGUI OSEMWOTA SOTA (US) 2006-11-16 WO disclosed
US-20060078533-A1 Method of prevention and treatment of aging and age-related disorders including atherosclerosis, peripheral vascular disease, coronary artery disease, osteoporosis, arthritis, type 2 diabetes, dementia, alzheimer's disease and cancer OMOIGUI OSEMWOTA S 2006-04-13 US disclosed