SCHEMBL9702759

SCHEMBL9702759

C=C=C(CN)c1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GFER P55789 2/20 0.41
HTT P42858 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ABAT P80404 1/20 0.39
HIF1A Q16665 4/20 0.39
CYP3A4 P08684 3/20 0.39
BLM P54132 3/20 0.39
PMP22 Q01453 2/20 0.39
MPO P05164 1/20 0.39
KDM5A P29375 1/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
TAAR1 Q96RJ0 3/20 0.37
ADRA2A P08913 2/20 0.37
SLC6A2 P23975 2/20 0.37
CYP2C19 P33261 2/20 0.37
ESR1 P03372 2/20 0.37

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
SCHEMBL9700915 0.81 ALDH1A1 (0.38) HTTLMNAALDH1A1KMT2ATAAR1
SCHEMBL9702758 0.80 HDAC1 (0.38) MAPTHSD17B10CYP3A4BLMPMP22
SCHEMBL9701638 0.78 EGFR (0.38) TAAR1ACHEBACE1CA12CA1
SCHEMBL9700906 0.78 EGFR (0.43) MAPTHSD17B10GFERHIF1ACYP3A4
SCHEMBL9702052 0.76 ALDH1A1 (0.46) MAPTHSD17B10CYP3A4LMNAALDH1A1
SCHEMBL9703287 0.76 CA1 (0.46) MAPTALDH1A1NR1I2SMN1; SMN2CA1
SCHEMBL9702172 0.72 ALDH1A1 (0.46) MAPTGFERHTTLMNAALDH1A1
SCHEMBL9703351 0.72 CA12 (0.42) GFERLMNAALDH1A1KDM4EPTGS2
SCHEMBL7039072 0.70 MAPT (0.52) MAPTHSD17B10GFERHTTGPR55
SCHEMBL10594203 0.69 MAPT (0.50) MAPTHSD17B10GFERHTTGPR55

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