SCHEMBL5486113

SCHEMBL5486113

CCC(=O)C(SC)(c1ccccc1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.59
OPRD1 P41143 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.43
ALDH1A1 P00352 6/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 2/20 0.39
FKBP1A P62942 1/20 0.39

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
SCHEMBL5496431 0.85 SMN1; SMN2 (0.49) OPRM1OPRD1SMN1; SMN2LMNAALDH1A1
SCHEMBL18889556 0.80 OPRM1 (0.60) OPRM1OPRD1SMN1; SMN2LMNAALDH1A1
SCHEMBL5486112 0.73 OPRM1 (0.52) OPRM1OPRD1SMN1; SMN2LMNAALDH1A1
SCHEMBL9843582 0.71 OPRM1 (0.60) OPRM1OPRD1LMNAALDH1A1KMT2A
SCHEMBL8817476 0.70 SMN1; SMN2 (0.52) OPRM1OPRD1SMN1; SMN2LMNAALDH1A1
SCHEMBL13052083 0.70 OPRM1 (0.43) OPRM1OPRD1SMN1; SMN2ALDH1A1TSHR
SCHEMBL28207887 0.70 ALDH1A1 (0.52) OPRM1OPRD1SMN1; SMN2LMNAALDH1A1
SCHEMBL28035974 0.70 OPRM1 (0.49) OPRM1OPRD1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4541997 0.69 KCNA5 (0.48) OPRM1OPRD1SMN1; SMN2LMNAALDH1A1
SCHEMBL3312757 0.69 SMN1; SMN2 (0.58) OPRM1OPRD1SMN1; SMN2LMNAALDH1A1

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-20070126833-A1 Digital printing using ultraviolet inks CITIBANK, N.A., AS COLLATERAL AGENT 2007-06-07 US claimed
WO-2007067466-A2 DIGITAL PRINTING USING ULTRAVIOLET INKS GENERAL ELECTRIC COMPANY (US) 2007-06-14 WO disclosed
US-20070126833-A1 Digital printing using ultraviolet inks CITIBANK, N.A., AS COLLATERAL AGENT 2007-06-07 US disclosed