SCHEMBL9700880

SCHEMBL9700880

C=C=C(CN)c1cccc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
ADAMTS4 O75173 1/20 0.39
EGFR P00533 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
FYN P06241 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CA6 P23280 1/20 0.39
CDK2 P24941 1/20 0.39
MMP12 P39900 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
ALOX5 P09917 4/20 0.39

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
SCHEMBL9702223 0.85 KDM4E (0.42) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL9701867 0.79 CA2 (0.37) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL9702172 0.74 ALDH1A1 (0.46) ALDH1A1LMNACA1CA2MAPT
SCHEMBL16891415 0.73 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10ALOX15CA1
SCHEMBL14645922 0.71 ALOX5 (0.50) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL9703351 0.70 CA12 (0.42) ALDH1A1LMNACA1CA2ALOX5
SCHEMBL11110834 0.68 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL9701892 0.68 TAAR1 (0.44) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL9702052 0.67 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL9702814 0.66 LMNA (0.39) ALDH1A1HPGDHSD17B10LMNAALOX15

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