SCHEMBL7214854

SCHEMBL7214854

C1=Cc2ccccc2[C]([C]2CC=Cc3ccccc32)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
IDO1 P14902 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.38
PTPRC P08575 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN1 P18031 1/20 0.38
ACHE P22303 1/20 0.38
CES1 P23141 1/20 0.38
RECQL P46063 1/20 0.38
PTPN22 Q9Y2R2 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
SCHEMBL8026582 0.87 ALDH1A1 (0.33) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL29569948 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL29422894 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL29385734 0.76 CES1 (0.45) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL5894113 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL2926382 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL2324920 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL2926757 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL219752 0.76 TSHR (0.36) ALDH1A1HSD17B10MEN1LMNAMAPT
SCHEMBL1941287 0.76 ALDH1A1 (0.40) ALDH1A1HSD17B10MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 US disclosed