SCHEMBL13627232

SCHEMBL13627232

CCCCCCCCCCCC(CN)CCCC

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
LMNA P02545 1/20 0.54
DNM1 Q05193 10/20 0.48
OPRM1 P35372 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL5074318 1.00 ALDH1A1 (0.68) ALDH1A1TDP1LMNADNM1OPRM1
SCHEMBL3797556 1.00 ALDH1A1 (0.68) ALDH1A1TDP1LMNADNM1OPRM1
SCHEMBL3628105 1.00 ALDH1A1 (0.68) ALDH1A1TDP1LMNADNM1OPRM1
SCHEMBL9112172 1.00 ALDH1A1 (0.68) ALDH1A1TDP1LMNADNM1OPRM1
SCHEMBL1164854 1.00 ALDH1A1 (0.68) ALDH1A1TDP1LMNADNM1OPRM1
SCHEMBL3625440 1.00 ALDH1A1 (0.68) ALDH1A1TDP1LMNADNM1OPRM1
Water SCHEMBL9435613 0.97 ALDH1A1 (0.65) ALDH1A1TDP1LMNADNM1OPRM1
SCHEMBL24200454 0.97 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1OPRM1
SCHEMBL20495959 0.97 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1OPRM1
SCHEMBL22658086 0.97 ALDH1A1 (0.64) ALDH1A1TDP1LMNADNM1OPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7620615-B1 Joins of relations in an object relational database system TERADATA US, INC. (US) 2009-11-17 US disclosed