SCHEMBL6156777

SCHEMBL6156777

C[SiH](C)C(C)(C)COCc1ccc(/C=C/c2cccc(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
BACE1 P56817 1/20 0.40
LCK P06239 1/20 0.36
MAOB P27338 6/20 0.36
MAOA P21397 3/20 0.36
HSD17B3 P37058 1/20 0.35
SLC6A19 Q695T7 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL722683 0.81 IDO1 (0.49) MAOBMAOAALDH1A1
SCHEMBL6158606 0.78 CHRNA7 (0.43) CHRNA7LCKMAOBMAOAHSD17B3
SCHEMBL481256 0.78 IDO1 (0.42) MAOBMAOAALDH1A1
SCHEMBL6156781 0.74 CHRNA7 (0.43) CHRNA7BACE1LCKMAOBMAOA
SCHEMBL8710528 0.74 ALDH1A1 (0.37) MAOBMAOAALDH1A1
SCHEMBL5442094 0.73 CYP2A6 (0.34) MAOBMAOAALDH1A1
SCHEMBL21493142 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1812319 0.70 TAAR1 (0.44) MAOB
SCHEMBL6493619 0.69 CYP2C19 (0.33) CHRNA7MAOBMAOAALDH1A1
SCHEMBL21493100 0.69 KMT2A (0.31) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed