SCHEMBL8969589

SCHEMBL8969589

CCCOC1CCC(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.36
PTPN1 P18031 2/20 0.36
PPP1CC P36873 2/20 0.36
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
ACE P12821 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
EPHX2 P34913 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PPP5C P53041 1/20 0.33
BTK Q06187 1/20 0.32
GABRR1 P24046 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL3912901 0.90 SMN1; SMN2 (0.33) PPM1BPTPN1PPP1CCPLGPLAT
SCHEMBL4748850 0.89 BTK (0.40) PPM1BPTPN1PPP1CCTAAR1EPHX2
SCHEMBL8970567 0.89 PPP5C (0.43) EPHX2PPP5CS1PR5
SCHEMBL4748851 0.89 BTK (0.40) PPM1BPTPN1PPP1CCTAAR1EPHX2
SCHEMBL4748848 0.89 BTK (0.40) PPM1BPTPN1PPP1CCTAAR1EPHX2
SCHEMBL11159892 0.89 PLG (0.41) PPM1BPTPN1PPP1CCPLGPLAT
SCHEMBL601771 0.89 PLG (0.41) PPM1BPTPN1PPP1CCPLGPLAT
SCHEMBL2280422 0.89 PLG (0.41) PPM1BPTPN1PPP1CCPLGPLAT
SCHEMBL8969446 0.88 EPHX2 (0.45) EPHX2PPP5CS1PR5
SCHEMBL22184418 0.86 PLG (0.38) PPM1BPTPN1PPP1CCPLGPLAT

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