SCHEMBL7978503

SCHEMBL7978503

CC(C)[C@@H](CO)Oc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
LMNA P02545 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SLC6A4 P31645 1/20 0.37
MAOB P27338 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 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
SCHEMBL23647523 0.81 POLB (0.45) PPARGPPARAGAANPSR1L3MBTL1
SCHEMBL7830796 0.80 LDHA (0.47) LDHALMNATDP1MAPTALDH1A1
SCHEMBL14653108 0.80 TRPA1 (0.44) LMNAALDH1A1KDM4ESLC6A4PPARG
SCHEMBL17896199 0.80 TRPA1 (0.44) LMNAALDH1A1KDM4ESLC6A4PPARG
SCHEMBL11749586 0.80 LDHA (0.47) LDHALMNATDP1MAPTALDH1A1
SCHEMBL19758123 0.80 TRPA1 (0.44) LMNAALDH1A1KDM4ESLC6A4PPARG
SCHEMBL7978384 0.78 CYP1A2 (0.54) MAPTSMN1; SMN2PPARGPPARAGAA
SCHEMBL11752018 0.76 MAPT (0.44) LDHALMNATDP1MAPTALDH1A1
SCHEMBL11750926 0.76 LDHA (0.43) LDHALMNATDP1MAPTALDH1A1
SCHEMBL4181386 0.73 LDHA (0.44) LDHALMNATDP1MAPTALDH1A1

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
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed