SCHEMBL5593715

SCHEMBL5593715

CCN(CC)c1ccc2cc(CCC(=O)OC)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ESRRG P62508 1/20 0.45
▸ AOC3 Q16853 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ TERT O14746 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL5593638 0.86 KDM4E (0.49) MAPTLMNAKDM4ENPC1TP53
SCHEMBL21617914 0.85 LMNA (0.60) MAPTLMNAKDM4ENPC1TP53
SCHEMBL5593618 0.84 CYP1A2 (0.49) MAPTLMNAKDM4ENPC1TP53
SCHEMBL11334796 0.83 THRA (0.53) MAPTLMNANPC1CYP3A4RAB9A
SCHEMBL13577590 0.82 CYP1A2 (0.54) MAPTLMNAKDM4ENPC1TP53
SCHEMBL16595321 0.80 LMNA (0.51) MAPTLMNAKDM4ENPC1TP53
SCHEMBL5348242 0.79 CYP1A2 (0.57) MAPTLMNAKDM4ENPC1TP53
SCHEMBL5593706 0.78 MAPT (0.74) MAPTLMNAKDM4ENPC1TP53
SCHEMBL4548368 0.78 LMNA (0.53) MAPTLMNAKDM4ENPC1TP53
SCHEMBL5593842 0.78 CYP1A2 (0.53) MAPTLMNAKDM4ENPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007022263-A1 FLUOROGENIC PROBES FOR MEDIUM CHAIN ACYL-COA DEHYDROGENASE ( MCAD ) THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-02-22 — — WO disclosed
WO-2007022263-A1 FLUOROGENIC PROBES FOR MEDIUM CHAIN ACYL-COA DEHYDROGENASE ( MCAD ) THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-02-22 — — WO disclosed
Send feedback