SCHEMBL9688942

SCHEMBL9688942

CCCCCOC(C)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.48
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
CES2 O00748 1/20 0.39
TLR2 O60603 2/20 0.39
LMNA P02545 2/20 0.38
EPHX1 P07099 1/20 0.38
TP53 P04637 1/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38

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
SCHEMBL9687227 0.98 DNM1 (0.52) DNM1NAAAALDH1A1TSHRHTT
SCHEMBL9405709 0.98 DNM1 (0.52) DNM1NAAAALDH1A1TSHRHTT
SCHEMBL9345472 0.98 DNM1 (0.52) DNM1NAAAALDH1A1TSHRHTT
SCHEMBL9345466 0.98 DNM1 (0.52) DNM1NAAAALDH1A1TSHRHTT
SCHEMBL9688338 0.98 DNM1 (0.52) DNM1NAAAALDH1A1TSHRHTT
SCHEMBL9405821 0.98 DNM1 (0.52) DNM1NAAAALDH1A1TSHRHTT
SCHEMBL5162959 0.98 DNM1 (0.52) DNM1NAAAALDH1A1TSHRHTT
SCHEMBL9687270 0.94 ALDH1A1 (0.41) DNM1ALDH1A1TSHRLMNATP53
SCHEMBL9340828 0.85
SCHEMBL9340831 0.85

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5167857-A Optically active, optical modulation CANON KABUSHIKI KAISHA (JP) 1992-12-01 US disclosed
US-5064569-A Liquid crystals, chirally tilted, phenyl carboxylates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-12 US disclosed
EP-0175591-B1 LACTIC ACID DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING SAME AND LIQUID CRYSTAL DEVICE CANON KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed
US-4775223-A DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 1988-10-04 US disclosed
EP-0260275-A1 OPTICALLY ACTIVE COMPOUNDS MERCK PATENT GmbH (DE) 1988-03-23 EP disclosed
WO-1987005017-A2 OPTICALLY ACTIVE COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-08-27 WO disclosed
EP-0175591-A2 Lactic acid derivative, liquid crystal composition containing same and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1986-03-26 EP disclosed
EP-0124252-A2 Double ester of 16beta-ethylestran-17beta-ol derivatives Takeda Chemical Industries, Ltd. (JP) 1984-11-07 EP disclosed