SCHEMBL8337386

SCHEMBL8337386

CC(O)C(=O)[C@H](Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.49
ABCG2 Q9UNQ0 1/20 0.47
KIFC1 Q9BW19 2/20 0.46
POLB P06746 3/20 0.41
LMNA P02545 2/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CAPN1 P07384 1/20 0.40
GPR132 Q9UNW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8337501 0.98 LRRK2 (0.47) LRRK2ABCG2KIFC1POLBLMNA
SCHEMBL8337399 0.94 LRRK2 (0.49) LRRK2ABCG2KIFC1POLBCAPN1
SCHEMBL5927055 0.91 KIFC1 (0.55) LRRK2ABCG2KIFC1GPR132
SCHEMBL5926387 0.90 ABCG2 (0.56) LRRK2ABCG2KIFC1POLBLMNA
SCHEMBL8337545 0.90 LRRK2 (0.38) LRRK2ABCG2KIFC1POLBLMNA
SCHEMBL5926822 0.89 KIFC1 (0.55) LRRK2ABCG2KIFC1GPR132
SCHEMBL5927541 0.89 KIFC1 (0.53) LRRK2ABCG2KIFC1GPR132
SCHEMBL8337866 0.89 PTPN11 (0.44) LRRK2ABCG2POLBLMNAKDM4E
SCHEMBL5927081 0.89 ABCG2 (0.54) LRRK2ABCG2KIFC1POLBLMNA
SCHEMBL5926514 0.88 KIFC1 (0.52) LRRK2ABCG2KIFC1GPR132

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
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO disclosed