SCHEMBL6182717

SCHEMBL6182717

CCN(CC)C(=O)OC1CCC[N+](C(=O)c2cc3ccccc3oc2=O)(C2CCNCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.39
RCE1 Q9Y256 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
TSHR P16473 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 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
SCHEMBL3464553 0.86 NPC1 (0.44) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL3459037 0.67 ACACB (0.47) LMNASMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL28997586 0.66 NPC1 (0.81) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL6203940 0.62 CYP1A2 (0.37) KMT2A
SCHEMBL9671060 0.62 MAPT (0.59) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL9671063 0.62 MAPT (0.59) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL16971312 0.61 KDM4E (0.66) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL6620194 0.60 CYP1A2 (0.37) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL7349348 0.60 LMNA (0.78) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL29961413 0.60 LMNA (0.68) NPC1RAB9AKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP claimed