SCHEMBL9729807

SCHEMBL9729807

O=CC1=Cc2cc(Br)ccc2OC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.52
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
TP53 P04637 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
APP P05067 4/20 0.39
BLM P54132 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
NPR1 P16066 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
P2RY6 Q15077 1/20 0.35

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
SCHEMBL8542237 0.82 MAOB (0.53) MAOBALOX5PTGS1PTGS2TP53
SCHEMBL8542232 0.82 MAOB (0.53) MAOBALOX5PTGS1PTGS2TP53
SCHEMBL1079406 0.80 MAPT (0.42) MAOBPTGS1PTGS2MAPTAPP
SCHEMBL8626959 0.80 MEN1 (0.49) MAOBPTGS1PTGS2TP53MAPT
SCHEMBL31191990 0.76 CA12 (0.40) MAOBPTGS1PTGS2MAPTAPP
SCHEMBL28002706 0.76 PTGS2 (0.47) MAOBALOX5PTGS1PTGS2MAPT
SCHEMBL8627404 0.76 MAOB (0.57) MAOBALOX5PTGS1PTGS2TP53
SCHEMBL9729620 0.76 ALOX5 (0.51) MAOBALOX5PTGS1PTGS2MAPT
SCHEMBL29804937 0.75 PTGS1 (0.51) MAOBALOX5PTGS1PTGS2MAPT
SCHEMBL2568148 0.75 PTGS1 (0.51) MAOBALOX5PTGS1PTGS2MAPT

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-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed