SCHEMBL5837053

SCHEMBL5837053

CC(C)C1CCC(C)(OC(=O)C2CC2c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
HDAC4 P56524 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
HPGD P15428 1/20 0.39
CHRNA7 P36544 2/20 0.39
SLC9A1 P19634 1/20 0.38
KDM1A O60341 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19301903 0.75 MAPK1 (0.55) MAPK1SMN1; SMN2TDP1ATMHRH3
SCHEMBL7567142 0.74 OPRL1 (0.38) SMN1; SMN2TDP1ATMALDH1A1HPGD
SCHEMBL18675592 0.72 SCN1A (0.36)
SCHEMBL118103 0.71 ALOX15 (0.34)
SCHEMBL11692287 0.71 OPRL1 (0.32)
SCHEMBL1223719 0.70 HDAC4 (0.61) MAPK1SMN1; SMN2TDP1ATMHDAC4
SCHEMBL29451691 0.70 HDAC4 (0.61) MAPK1SMN1; SMN2TDP1ATMHDAC4
SCHEMBL10012080 0.70 GPR119 (0.32)
SCHEMBL2504396 0.70 HDAC4 (0.61) MAPK1SMN1; SMN2TDP1ATMHDAC4
SCHEMBL11372188 0.70 SCN1A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38947-E1 Method of enantioselectively catalyzing a reaction RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2006-01-24 US disclosed
EP-0594608-B1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RES CORP TECHNOLOGIES INC (US) 1997-10-15 EP disclosed
EP-0594608-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1994-05-04 EP disclosed
US-5296595-A Metal complexes with bridging ligands RESEARCH CORPORATION TECHNOLOGIES (US) 1994-03-22 US disclosed
EP-0594608-A4 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS. RES CORP TECHNOLOGIES INC (US) 1993-03-15 EP disclosed
US-5175311-A Reacting olefin with carbene precursor RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-29 US disclosed
WO-1991014672-A1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-10-03 WO disclosed