SCHEMBL454872

SCHEMBL454872

C=CCOC(CCCCCCCCC)OCC=C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
SMPD1 P17405 3/20 0.41
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
DNM1 Q05193 2/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
OPRM1 P35372 1/20 0.33
THRB P10828 1/20 0.33
PLA2G2C Q5R387 1/20 0.33

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
SCHEMBL2900803 0.98 TSHR (0.40) TSHRSMPD1ALDH1A1LMNADNM1
SCHEMBL11246030 0.91 TSHR (0.39) TSHRSMPD1ALDH1A1DNM1
SCHEMBL9764014 0.87 CA1 (0.30)
SCHEMBL25125852 0.83 TSHR (0.43) TSHRSMPD1ALDH1A1LMNADNM1
SCHEMBL16107215 0.83 TSHR (0.43) TSHRSMPD1ALDH1A1LMNADNM1
SCHEMBL631275 0.82 MEN1 (0.34) TSHRALDH1A1
SCHEMBL10488782 0.82 TSHR (0.40) TSHRALDH1A1
SCHEMBL15442569 0.82 TSHR (0.42) TSHRALDH1A1LMNADNM1ADH1B
SCHEMBL11672964 0.82 TSHR (0.42) TSHRALDH1A1LMNADNM1ADH1B
SCHEMBL11670947 0.82 TSHR (0.42) TSHRALDH1A1LMNADNM1ADH1B

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
EP-2613878-A1 NOVEL OLEFIN METATHESIS CATALYSTS Bergen Teknologioverforing AS (NO) 2013-07-17 EP disclosed
WO-2012032131-A1 NOVEL OLEFIN METATHESIS CATALYSTS BERGEN TEKNOLOGIOVERFØRING AS (NO) 2012-03-15 WO disclosed