SCHEMBL9487181

SCHEMBL9487181

CCCO[C@H](C)CCCO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX2 P34913 1/20 0.32
PTPN1 P18031 1/20 0.32
USP2 O75604 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL9487194 1.00 ALDH1A1 (0.38) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL9488610 1.00 ALDH1A1 (0.38) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL29892290 0.90 SMN1; SMN2 (0.37) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL9489342 0.87 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL9489333 0.87 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL2795834 0.86 TSHR (0.44) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL225538 0.86
SCHEMBL9489295 0.86
SCHEMBL9059729 0.85 LMNA (0.46) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL9059736 0.85 LMNA (0.46) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10

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-0255962-B1 OPTICALLY ACTIVE MESOMORPHIC COMPOUND CANON KABUSHIKI KAISHA (JP) 1993-01-27 EP disclosed
US-5143643-A Liquid crystals CANON KABUSHIKI KAISHA (JP) 1992-09-01 US disclosed
EP-0255962-A2 Optically active mesomorphic compound CANON KABUSHIKI KAISHA (JP) 1988-02-17 EP disclosed