SCHEMBL9513054

SCHEMBL9513054

C1=C(CCCCOCCCCC2=CCCCCCCCCCC2)CCCCCCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
EPHX1 P07099 1/20 0.41
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CXCR3 P49682 1/20 0.36

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
SCHEMBL9868030 0.96 ALDH1A1 (0.41) SMN1; SMN2ALOX15ALDH1A1RAB9ANPC1
SCHEMBL27628750 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ALOX15ALDH1A1RAB9ANPC1
SCHEMBL10399369 0.84 ALDH1A1 (0.46) SMN1; SMN2ALOX15ALDH1A1RAB9ANPC1
SCHEMBL8671709 0.81 ALDH1A1 (0.50) SMN1; SMN2ALOX15ALDH1A1RAB9ANPC1
SCHEMBL2302605 0.80 ALDH1A1 (0.39) SMN1; SMN2ALOX15ALDH1A1RAB9AUSP2
SCHEMBL9513044 0.79 ALDH1A1 (0.44) SMN1; SMN2ALOX15ALDH1A1RAB9ANPC1
SCHEMBL9513047 0.79 ALDH1A1 (0.44) SMN1; SMN2ALOX15ALDH1A1RAB9ANPC1
SCHEMBL9176557 0.79 ALDH1A1 (0.42) SMN1; SMN2ALOX15ALDH1A1RAB9ANPC1
SCHEMBL2513477 0.79 ALDH1A1 (0.52) SMN1; SMN2ALOX15ALDH1A1RAB9ANPC1
SCHEMBL11236830 0.78 ALDH1A1 (0.46) SMN1; SMN2ALOX15ALDH1A1RAB9ANPC1

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-0278384-B1 ALCOHOLS AND ETHERS WITH CYCLODODECYL AND CYCLODODECENYL GROUPS, THEIR PREPARATION AND USE AS PARFUMING AGENTS Consortium für elektrochemische Industrie GmbH (DE) 1993-09-29 EP disclosed
EP-0278384-A2 Alcohols and ethers with cyclododecyl and cyclododecenyl groups, their preparation and use as parfuming agents Consortium für elektrochemische Industrie GmbH (DE) 1988-08-17 EP disclosed