SCHEMBL8969963

SCHEMBL8969963

COC1CCCCCC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
PEPD P12955 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8970358 1.00 CYP2C19 (0.38) CYP2C19KDM4ETSHRRECQLHSD17B10
SCHEMBL8072246 0.98 CYP2C19 (0.39) CYP2C19KDM4ETSHRRECQLHSD17B10
SCHEMBL8970243 0.98 CYP2C19 (0.39) CYP2C19KDM4ETSHRRECQLHSD17B10
Hydrochloric Acid SCHEMBL8970750 0.96 PEPD (0.39) CYP2C19KDM4ETSHRRECQLHSD17B10
SCHEMBL8086372 0.93 PEPD (0.41) CYP2C19KDM4ETSHRRECQLHSD17B10
SCHEMBL8969916 0.93 PEPD (0.41) CYP2C19KDM4ETSHRRECQLHSD17B10
SCHEMBL8969423 0.93 PEPD (0.41) CYP2C19KDM4ETSHRRECQLHSD17B10
Hydrochloric Acid SCHEMBL8970160 0.91 PEPD (0.44) CYP2C19KDM4ETSHRRECQLHSD17B10
Hydrochloric Acid SCHEMBL8970089 0.91 PEPD (0.44) CYP2C19KDM4ETSHRRECQLHSD17B10
SCHEMBL28008741 0.82 EPHX1 (0.37) CYP2C19KDM4EALDH1A1MAPTLMNA

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