SCHEMBL5605813

SCHEMBL5605813

CC(C(=O)c1ccccc1)C(O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 2/20 0.42
RAB9A P51151 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX2 P34913 3/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2477876 0.81 LMNA (0.49) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL9788809 0.81 LMNA (0.49) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL27776493 0.81 LMNA (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL522599 0.80 LMNA (0.46) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL29770503 0.78 NPC1 (0.46) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL7543000 0.76 LMNA (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL7493232 0.76 LMNA (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL8393240 0.75 NPC1 (0.44) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL8395224 0.75 NPC1 (0.44) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL14784613 0.75 RAB9A (0.44) LMNACYP1A2CYP2D6SCN1ASCN2A

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-1203616-B1 CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION JAPAN SCIENCE & TECH AGENCY (JP) 2007-01-10 EP disclosed
US-6780812-B2 SUCH AS LEAD TRIFLATE AND A CHIRAL CROWN ETHER COMPOUND JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-08-24 US disclosed
EP-1203616-A1 CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION Japan Science and Technology Corporation (JP) 2002-05-08 EP disclosed