SCHEMBL9876914

SCHEMBL9876914

O=C(CO)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.59
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
FOLH1 Q04609 1/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 3/20 0.53
LMNA P02545 2/20 0.53
USP28 Q96RU2 1/20 0.52
USP25 Q9UHP3 1/20 0.52
HTT P42858 1/20 0.51
PTGES O14684 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.49

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
SCHEMBL384896 0.88 FOLH1 (0.68) LRRK2KDM4EALDH1A1FOLH1HPGD
SCHEMBL28260622 0.87 LRRK2 (0.59) LRRK2KDM4EALDH1A1FOLH1HPGD
SCHEMBL6452235 0.84 PTGDR2 (0.67) LRRK2KDM4EALDH1A1FOLH1HPGD
SCHEMBL30591972 0.84 PTGDR2 (0.67) LRRK2KDM4EALDH1A1FOLH1HPGD
SCHEMBL4723723 0.84 LRRK2 (0.58) LRRK2KDM4EALDH1A1FOLH1HPGD
SCHEMBL5627324 0.84 LRRK2 (0.56) LRRK2KDM4EALDH1A1FOLH1HPGD
SCHEMBL552025 0.83 LRRK2 (0.57) LRRK2KDM4EALDH1A1FOLH1HPGD
SCHEMBL6492975 0.82 LRRK2 (0.60) LRRK2KDM4EALDH1A1FOLH1HPGD
SCHEMBL5627788 0.82 LRRK2 (0.54) LRRK2KDM4EALDH1A1FOLH1HPGD
SCHEMBL5431545 0.82 LRRK2 (0.63) LRRK2KDM4EALDH1A1FOLH1HPGD

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-5017572-A CALCIUM ANTAGONIST DELALANDE S.A. (FR) 1991-05-21 US disclosed