SCHEMBL8942949

SCHEMBL8942949

C=CCC(=O)Oc1ccccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
HTT P42858 2/20 0.46
EGFR P00533 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP7 O15540 1/20 0.41
FABP3 P05413 1/20 0.41
FABP5 Q01469 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PSMD14 O00487 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
PPARG P37231 1/20 0.41
CRHR2 Q13324 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL8942942 0.85 EGFR (0.45) RXRARXRBRXRGHTTEGFR
SCHEMBL9431758 0.80 RXRA (0.61) RXRARXRBRXRGHTTEGFR
SCHEMBL8518197 0.78 HTT (0.58) RXRAHTTL3MBTL1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8517634 0.77 HTT (0.57) RXRARXRBHTTL3MBTL1ALDH1A1
SCHEMBL3502139 0.76 KDM4E (0.57) HTTTDP1KMT2AALDH1A1KDM4E
SCHEMBL8770703 0.76 HTT (0.63) HTTL3MBTL1KMT2AALDH1A1GAA
SCHEMBL6702965 0.75 MEN1 (0.56) RXRARXRBRXRGKMT2AALDH1A1
SCHEMBL9850187 0.75 MEN1 (0.56) RXRARXRBRXRGKMT2AALDH1A1
Hydrochloric Acid SCHEMBL9243417 0.74 HTT (0.61) HTTL3MBTL1KMT2AALDH1A1GAA
SCHEMBL8850933 0.74 KDM4E (0.54) HTTTDP1KMT2AALDH1A1KDM4E

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-0467721-B1 Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same MITSUBISHI RAYON CO (JP) 1996-03-27 EP disclosed
US-5480580-A COMPOUNDS FOR VISUAL AIDS WITH GOOD STABILITY MITSUBISHI RAYON COMPANY LTD. (JP) 1996-01-02 US disclosed
EP-0467721-A1 Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same MITSUBISHI RAYON CO., LTD (JP) 1992-01-22 EP disclosed