SCHEMBL9518264

SCHEMBL9518264

CC1(C)OCc2cccc(-n3cnc(CO)c3)c2O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CPB1 P15086 1/20 0.32
CPB2 Q96IY4 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
MAOB P27338 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
Hydrochloric Acid SCHEMBL10543233 0.99 ALDH1A1 (0.34) ALDH1A1MAPK1KMT2ACPB1CPB2
SCHEMBL9518250 0.77 ALDH1A1 (0.34) ALDH1A1MAPK1KMT2AMAOBPOLB
Hydrochloric Acid SCHEMBL10542612 0.76 ALDH1A1 (0.36) ALDH1A1MAPK1KMT2AMAOBPOLB
SCHEMBL9518304 0.74 PDE3B (0.38) PDE3BPDE3A
SCHEMBL17531792 0.71 KMT2A (0.38) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL9521350 0.71 ALDH1A1 (0.38) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL11048752 0.67 CPB1 (0.43) ALDH1A1MAPK1KMT2ACPB1CPB2
SCHEMBL11046403 0.67 CPB1 (0.54) CPB1CPB2PDE3BPDE3A
SCHEMBL10801359 0.66 MAOB (0.37) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL12191290 0.65 HTR1A (0.37) ALDH1A1MAPK1KMT2AMAOB

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
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed