SCHEMBL9702039

SCHEMBL9702039

C=C=C(CN)COc1c(OC)cccc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9702788 0.79 TAAR1 (0.42) TSHRMAPK1ALDH1A1POLBTAAR1
SCHEMBL9702070 0.78 TAAR1 (0.40) SMN1; SMN2TSHRMAPK1ALDH1A1TAAR1
SCHEMBL9701657 0.76 AOC2 (0.55) SMN1; SMN2TSHRALDH1A1LMNAMAPT
SCHEMBL9702814 0.76 LMNA (0.39) SMN1; SMN2MAPK1ALDH1A1TAAR1GAA
SCHEMBL9703429 0.76 MAOB (0.49) L3MBTL1TAAR1GAALMNAMAPT
SCHEMBL9700886 0.75 CA12 (0.47) SMN1; SMN2TSHRALDH1A1TAAR1GAA
SCHEMBL9701919 0.73 MEN1 (0.43) SMN1; SMN2L3MBTL1TSHRPOLBMAPT
SCHEMBL9702162 0.73 TAAR1 (0.54) SMN1; SMN2TSHRALDH1A1TAAR1GAA
SCHEMBL7407020 0.72 SMN1; SMN2 (0.73) SMN1; SMN2L3MBTL1TSHRMAPK1ALDH1A1
SCHEMBL9701958 0.72 KMT2A (0.44) SMN1; SMN2L3MBTL1ALDH1A1POLBGAA

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
US-5120764-A Administering penicillamine and allenylamines to inhibit crosslinking of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-09 US disclosed
EP-0374440-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed