SCHEMBL8971114

SCHEMBL8971114

COC[C@@H]1CCC[C@H]1Oc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.44
SRD5A2 P31213 1/20 0.44
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
HSD17B10 Q99714 1/20 0.42
RXRA P19793 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL8969957 0.96 HDAC8 (0.46) HDAC8HDAC6HDAC1CA1CA2
SCHEMBL8437114 0.75 ALDH1A1 (0.56) SRD5A2CA1CA2ALDH1A1LMNA
SCHEMBL4654745 0.73 PARP15 (0.45) HSD17B10ALDH1A1NPC1RAB9A
SCHEMBL27516126 0.72 ALDH1A1 (0.49) SRD5A2CA1CA2ALDH1A1LMNA
SCHEMBL13266897 0.71 ALDH1A1 (0.64) SRD5A2PDE4APDE4BPDE4CPDE4D
SCHEMBL11755572 0.69 PARP10 (0.71) SRD5A2PDE4APDE4BPDE4CPDE4D
SCHEMBL5703742 0.69 EPHX2 (0.49) SRD5A2PDE4APDE4BPDE4CPDE4D
SCHEMBL13861910 0.68 RARB (0.68) RARBSRD5A2HSD17B10RAB9A
SCHEMBL2885506 0.68 PARP10 (0.73) MAP4K4
SCHEMBL17190314 0.68 ALDH1A1 (0.55) SRD5A2PDE4APDE4BPDE4CPDE4D

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-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 EP disclosed