SCHEMBL547562

SCHEMBL547562

CCCCCCCCCCCCCCCC1CCC1(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.41
OPRL1 P41146 5/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 4/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 2/20 0.39
MAPT P10636 1/20 0.38
SLC6A4 P31645 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
SCHEMBL547417 1.00 OPRM1 (0.41) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL28002157 0.84 SLC6A4 (0.47) OPRM1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL11617614 0.74 OPRL1 (0.49) OPRM1OPRL1OPRD1OPRK1
SCHEMBL11617618 0.74 OPRL1 (0.49) OPRM1OPRL1OPRD1OPRK1
SCHEMBL28258979 0.74 SLC6A2 (0.48) ALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL7532697 0.72 BACE1 (0.40) OPRM1SLC6A2SLC6A4
SCHEMBL8101337 0.72 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL8095900 0.72 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL8086846 0.72 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1SMN1; SMN2
SCHEMBL8100835 0.72 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120103787-A1 Photochemical Method For Producing Hydrocarbons NECKERS DOUGLAS C (US) 2012-05-03 US disclosed
US-8110074-B1 Photochemical method for producing hydrocarbons NECKERS DOUGLAS C (US) 2012-02-07 US disclosed