SCHEMBL11549986

SCHEMBL11549986

CCCCCCCCCCNC(C)C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.41
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
XBP1 P17861 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL11557662 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL11554271 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL5248848 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL5413504 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL11549970 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL11557081 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL11555891 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL11553437 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL11555439 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL11555257 1.00 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C

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-4137267-A Catalytic hydrogenation process TEXACO INC. (US) 1979-01-30 US disclosed