SCHEMBL8185095

SCHEMBL8185095

N#Cc1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
TSHR P16473 2/20 0.62
ABCC4 O15439 1/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
PTGS1 P23219 1/20 0.62
RXRA P19793 6/20 0.61
RXRG P48443 6/20 0.61
MMP12 P39900 1/20 0.58
MMP13 P45452 1/20 0.58
CTBP2 P56545 1/20 0.57
FFAR1 O14842 2/20 0.56
MMP2 P08253 1/20 0.56
RXRB P28702 5/20 0.55
MMP3 P08254 1/20 0.50
CA2 P00918 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
AKR1B1 P15121 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
SAE1 Q9UBE0 1/20 0.46

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
SCHEMBL335492 0.94 CTBP2 (0.62) HTTTSHRABCC4LMNAGAA
Hydrochloric Acid SCHEMBL7981327 0.92 CTBP2 (0.61) HTTTSHRABCC4LMNAGAA
SCHEMBL29236556 0.92 CTBP2 (0.61) HTTTSHRABCC4LMNAGAA
SCHEMBL6917099 0.84 SRD5A2 (0.57) HTTLMNARXRARXRGCTBP2
SCHEMBL6540182 0.84 MAOB (0.56) HTTTSHRABCC4LMNAGAA
SCHEMBL18427891 0.83 LMNA (0.86) HTTTSHRABCC4LMNAGAA
SCHEMBL68027 0.83 LMNA (0.86) HTTTSHRABCC4LMNAGAA
SCHEMBL23972420 0.83 GRIN2D (0.54) HTTTSHRABCC4LMNAGAA
SCHEMBL31226109 0.83 MMP12 (0.64) HTTTSHRABCC4LMNAGAA
SCHEMBL6937899 0.79 CTBP2 (0.59) HTTMMP12MMP13CTBP2FFAR1

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-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed