SCHEMBL19033247

SCHEMBL19033247

CCCCNCCCCCCCCC(CC)CCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
S1PR2 O95136 5/20 0.37
S1PR4 O95977 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
CA2 P00918 2/20 0.37
S1PR5 Q9H228 1/20 0.37
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH7 P40394 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX1 P07099 2/20 0.35
ADH4 P08319 1/20 0.35

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
SCHEMBL22744845 0.94 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4TDP1LMNA
SCHEMBL22624698 0.92 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4TDP1LMNA
SCHEMBL19956032 0.91 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4TDP1LMNA
SCHEMBL12478812 0.91 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4TDP1LMNA
SCHEMBL24347570 0.88 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4TDP1LMNA
SCHEMBL22019966 0.88 TSHR (0.46) ALDH1A1TSHRCYP3A4TDP1LMNA
SCHEMBL27383605 0.88 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4TDP1LMNA
SCHEMBL23131709 0.87 TSHR (0.59) ALDH1A1TSHRCYP3A4LMNAS1PR2
SCHEMBL21410771 0.87 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4TDP1LMNA
SCHEMBL24673319 0.86 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4TDP1LMNA

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-9689827-B2 Potentiostatic circuits for electrochemical sensors HONEYWELL INTERNATIONAL INC. (US) 2017-06-27 US disclosed