SCHEMBL8089614

SCHEMBL8089614

CC1(C)CCCC(CCOC(=O)CCCC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.36
PTPN1 P18031 1/20 0.35
SMYD3 Q9H7B4 1/20 0.33
UGT2B7 P16662 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CETP P11597 2/20 0.32
CDC25A P30304 1/20 0.32
NPC1 O15118 1/20 0.32
ARG1 P05089 1/20 0.32
POLB P06746 1/20 0.32
EPHX2 P34913 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL25341713 0.85 ARG1 (0.34) LMNAPTPN1SMN1; SMN2ARG1
SCHEMBL25341709 0.83 NAAA (0.34) SMN1; SMN2ARG1PSEN1PSEN2APH1B
SCHEMBL6869259 0.81 MEN1 (0.33) EPHX2
SCHEMBL5708024 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ARG1
SCHEMBL756557 0.79 ARG1 (0.34) TSHRSMN1; SMN2ARG1
SCHEMBL16246786 0.79 GAA (0.32) UGT2B7CDC25AARG1
SCHEMBL233612 0.78 MGAM (0.42) SMYD3ARG1EPHX2
SCHEMBL20168559 0.78 MGAM (0.42) SMYD3ARG1EPHX2
SCHEMBL6870122 0.77 NAAA (0.32) SMN1; SMN2ARG1
SCHEMBL17629469 0.77 NAAA (0.32) SMN1; SMN2ARG1

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
EP-1047660-A1 ESTERS WITH MUSKY ODOR AND THEIR USE IN PERFUMERY FIRMENICH SA (CH) 2000-11-02 EP disclosed
WO-2000014051-A1 ESTERS WITH MUSKY ODOR AND THEIR USE IN PERFUMERY FIRMENICH SA (CH) 2000-03-16 WO disclosed