SCHEMBL9407167

SCHEMBL9407167

CCC(C)C(=O)c1ccc(O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA7 P43166 5/20 0.44
CA9 Q16790 5/20 0.44
CA14 Q9ULX7 5/20 0.44
HSP90AB1 P08238 1/20 0.43
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 1/20 0.39
ESRRB O95718 1/20 0.39
ESRRG P62508 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL9407157 0.84 HSP90AB1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL9407152 0.84 HSP90AB1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL29077373 0.84 TAS1R3 (0.49) LMNAKDM4EALDH1A1HTTMEN1
SCHEMBL759621 0.82 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL31595634 0.82 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL12148612 0.82 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL27502290 0.79 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL10446352 0.77 SLC6A2 (0.49) HTTMEN1KMT2A
SCHEMBL9407177 0.76 LMNA (0.61) CA12CA1CA2CA7CA9
SCHEMBL9407164 0.76 LMNA (0.61) CA12CA1CA2CA7CA9

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-0315193-B1 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH & TELEPHONE (JP) 1994-04-06 EP disclosed
US-5059345-A Spontaneous polarization in wide temperature range and high speed response NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-10-22 US disclosed
EP-0315193-A2 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1989-05-10 EP disclosed