SCHEMBL7907066

SCHEMBL7907066

COC(=O)CCC(=O)O/C=C(\C)Cc1ccc(C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CNR2 P34972 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
NLRP3 Q96P20 1/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 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
SCHEMBL7907069 1.00 MAPT (0.41) MAPTTP53GAARAB9AALDH1A1
SCHEMBL7899283 0.94 CNR2 (0.39) RAB9AALDH1A1KDM4ECNR2SMN1; SMN2
SCHEMBL7899286 0.94 CNR2 (0.39) RAB9AALDH1A1KDM4ECNR2SMN1; SMN2
SCHEMBL6566596 0.83 CNR2 (0.41) RAB9AALDH1A1KDM4ECNR2SMN1; SMN2
SCHEMBL6566598 0.83 CNR2 (0.41) RAB9AALDH1A1KDM4ECNR2SMN1; SMN2
SCHEMBL7905574 0.82 CNR2 (0.49) GAARAB9AALDH1A1LMNACNR2
SCHEMBL6568187 0.81 LMNA (0.50) MAPTRAB9AALDH1A1LMNAKDM4E
SCHEMBL6568186 0.81 LMNA (0.50) MAPTRAB9AALDH1A1LMNAKDM4E
SCHEMBL6568168 0.81 TDP1 (0.45) RAB9AALDH1A1LMNACNR2SMN1; SMN2
SCHEMBL6568165 0.81 TDP1 (0.45) RAB9AALDH1A1LMNACNR2SMN1; SMN2

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
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US claimed
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US disclosed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed