SCHEMBL6803104

SCHEMBL6803104

[CH2]C=CCc1ccc(OC)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
ALOX15 P16050 2/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
ALOX12 P18054 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
IDO1 P14902 5/20 0.50
AGXT P21549 2/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LTA4H P09960 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
SLC6A4 P31645 1/20 0.42
APLNR P35414 1/20 0.42
CALM1 P0DP23 1/20 0.41

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
SCHEMBL11437812 0.87 ALDH1A1 (0.68) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL12924871 0.81 ALDH1A1 (0.61) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL5002160 0.81 ALDH1A1 (0.61) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL6194308 0.80 NQO1 (0.54) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL5598799 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL1741564 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL7921584 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL16093275 0.79 ACHE (0.62) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL6258400 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15TP53CYP3A4TSHR
SCHEMBL6258401 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15TP53CYP3A4TSHR

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-20040023882-A1 PTH derivatives resistant to skin proteases THERATECHNOLOGIES INC. (CA) 2004-02-05 US disclosed
WO-2003097690-A2 PTH DERIVATIVES RESISTANT TO SKIN PROTEASES THERATECHNOLOGIES INC. (CA) 2003-11-27 WO disclosed
US-4553972-A FLEXIBLE POLYMER, CHELATION SYNTEX (U.S.A.) INC. (US) 1985-11-19 US disclosed