SCHEMBL5711399

SCHEMBL5711399

CC[C@@](NC(=O)OCc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CXCR2 P25025 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CTSS P25774 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SYK P43405 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSK P43235 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL4383644 0.90 MEN1 (0.45) MEN1KMT2ANPC1RAB9ACXCR2
SCHEMBL9828908 0.87 KDM4E (0.51) MEN1KMT2ANPC1RAB9ACXCR2
SCHEMBL9828915 0.87 KDM4E (0.51) MEN1KMT2ANPC1RAB9ACXCR2
SCHEMBL9830815 0.84 LMNA (0.45) MEN1KMT2ANPC1RAB9ACXCR2
SCHEMBL9830821 0.84 LMNA (0.45) MEN1KMT2ANPC1RAB9ACXCR2
SCHEMBL193093 0.83 KCNN4 (0.44) MEN1KMT2ACXCR2ALDH1A1SMN1; SMN2
SCHEMBL4372939 0.82 ATM (0.40) MEN1KMT2ANPC1RAB9ACXCR2
SCHEMBL10440896 0.82 POLB (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL31329451 0.82 CXCR2 (0.39) MEN1KMT2ACXCR2ALDH1A1CTSS
SCHEMBL8909308 0.81 MEN1 (0.58) MEN1KMT2ANPC1RAB9AALDH1A1

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
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed