SCHEMBL9737951

SCHEMBL9737951

COCC1(C)Oc2ccc(Br)cc2C(N2CCCC2=O)=C1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 4/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL9735762 0.85 ABCC9 (0.42) SMN1; SMN2TSHRMALT1
SCHEMBL9735261 0.85 NR1H4 (0.38) SMN1; SMN2TSHRMALT1POLBKDM4E
SCHEMBL9737143 0.84 ALDH1A1 (0.36) SMN1; SMN2TSHRPOLBNPSR1MAPT
SCHEMBL9735249 0.80 POLB (0.33) PTGER1TSHRMALT1POLBHSD17B10
SCHEMBL9737036 0.76 NPSR1 (0.32) NPSR1MAPTKDM4E
SCHEMBL9737580 0.76 SMN1; SMN2 (0.35) PTGER1SMN1; SMN2TSHRMALT1POLB
SCHEMBL9733185 0.74 SMN1; SMN2 (0.33) SMN1; SMN2TSHRMALT1POLBHSD17B10
SCHEMBL9735707 0.72 MALT1 (0.33) MALT1NPSR1MAPTKDM4E
SCHEMBL9846729 0.70 BACE1 (0.37) TSHRMALT1POLBHSD17B10KMT2A
SCHEMBL9147582 0.68 KMT2A (0.40) SMN1; SMN2TSHRMALT1POLBKDM4E

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed