SCHEMBL1978302

SCHEMBL1978302

O=C(O)CC1(Oc2ccc(Br)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
LDHA P00338 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SRD5A2 P31213 1/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.35
PPARD Q03181 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL1979237 0.85 LDHA (0.36) MAPK1LDHARXRARXRBMEN1
SCHEMBL1978847 0.82 HPGD (0.45) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL17441559 0.78 MEN1 (0.35) MAPK1LDHARXRARXRBMEN1
SCHEMBL3609539 0.75 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL31433104 0.74 MMP14 (0.36) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL19110513 0.73 LDHA (0.44) MAPK1LDHAFFAR1FFAR4SRD5A2
SCHEMBL16468401 0.70 MAP4K4 (0.42) MAPK1LDHAFFAR1FFAR4RXRA
SCHEMBL4001 0.69 HSD11B1 (0.57) MAPK1MEN1KMT2ALMNARAB9A
SCHEMBL20476548 0.67 KMT2A (0.47) MAPK1LDHAFFAR1FFAR4SRD5A2
SCHEMBL16468051 0.67 LDHA (0.39) MAPK1LDHAMEN1KMT2ALMNA

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-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed