SCHEMBL9701941

SCHEMBL9701941

C=C=C(CN)Cc1ccc(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYR P14679 6/20 0.47
ALOX5 P09917 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9700887 0.86 EGFR (0.39) TYR
SCHEMBL9701903 0.79 TAAR1 (0.52) TSHR
SCHEMBL9702029 0.74 TAAR1 (0.48) KMT2ATDP1
SCHEMBL9701625 0.72 DRD2 (0.55) KMT2AMAPTCYP3A4ALOX15
SCHEMBL9703273 0.72 LMNA (0.37) TYRMEN1KMT2ACYP3A4TSHR
SCHEMBL632515 0.71 TYR (0.74) TYRALOX5MEN1KMT2AMAPT
SCHEMBL29465001 0.71 TYR (0.74) TYRALOX5MEN1KMT2AMAPT
SCHEMBL633312 0.71 TYR (0.65) TYRALOX5MEN1KMT2AMAPT
SCHEMBL30255614 0.71 TYR (0.65) TYRALOX5MEN1KMT2AMAPT
SCHEMBL10442128 0.71 ACHE (0.38) CYP3A4

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