SCHEMBL8969232

SCHEMBL8969232

CCCCOC(=O)C1SCCC1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
GBA2 Q9HCG7 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL8970266 0.95 NAAA (0.40) ALDH1A1TSHRHCAR2GBA2NAAA
SCHEMBL8970078 0.94 NAAA (0.42) ALDH1A1TSHRHCAR2GBA2NAAA
SCHEMBL8970637 0.94 NAAA (0.42) ALDH1A1TSHRHCAR2GBA2NAAA
SCHEMBL8970689 0.94 NAAA (0.42) ALDH1A1TSHRHCAR2GBA2NAAA
SCHEMBL8969475 0.94 NAAA (0.42) ALDH1A1TSHRHCAR2GBA2NAAA
SCHEMBL8969139 0.94 NAAA (0.42) ALDH1A1TSHRHCAR2GBA2NAAA
SCHEMBL8970048 0.90 PPM1B (0.41) ALDH1A1HCAR2PPM1BPTPN1PPP1CC
SCHEMBL9863117 0.84 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL9863118 0.81 ALDH1A1 (0.38) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL12138161 0.71 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2

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