SCHEMBL7977537

SCHEMBL7977537

COCCOCCOCCSc1cccc(CCl)c1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 6/20 0.34
PKM P14618 2/20 0.34
HSD17B10 Q99714 6/20 0.33
PTGS2 P35354 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX12 P18054 2/20 0.33
MAP2K7 O14733 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
ALOX15 P16050 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7974379 0.94 ALDH1A1 (0.34) MAPK1ALDH1A1PKMHSD17B10PTGS2
SCHEMBL7963854 0.86 PDCD1 (0.37) MAPK1ALDH1A1PKMHSD17B10PTGS2
SCHEMBL7974375 0.79 LMNA (0.33) LMNAGAA
SCHEMBL7994038 0.78 HTR7 (0.33)
SCHEMBL7977434 0.75 L3MBTL1 (0.43) ALDH1A1KDM4ETDP1POLBLMNA
SCHEMBL7974426 0.72 SMN1; SMN2 (0.55) ALDH1A1KMT2AHPGDHTTLMNA
SCHEMBL7974431 0.72 SMN1; SMN2 (0.55) ALDH1A1KMT2AHPGDHTTLMNA
SCHEMBL7963994 0.70 LMNA (0.50) MAPK1ALDH1A1HSD17B10KMT2APOLB
SCHEMBL20706921 0.69 HTR7 (0.38) MAPK1ALDH1A1PTGS2KDM4ETDP1
SCHEMBL8915012 0.69 MAP2K7 (0.30) MAP2K7CDC25ACDC25B

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-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed