SCHEMBL8100746

SCHEMBL8100746

C#CCC1=C(NC(=O)CCCC)C(=O)c2cc(OC)c(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
EPHX2 P34913 1/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8092977 0.88 GAA (0.40) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8100713 0.88 ALDH1A1 (0.41) ALDH1A1HPGDTRPV1TSHRNPC1
SCHEMBL8106239 0.88 GAA (0.44) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8100379 0.86 GAA (0.43) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8106211 0.86 GAA (0.43) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8100607 0.86 L3MBTL1 (0.41) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8100257 0.85 GAA (0.45) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8102130 0.84 GAA (0.47) GAATDP1L3MBTL1EPHX2
SCHEMBL8093123 0.83 SMN1; SMN2 (0.44) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8102581 0.83 TDP2 (0.52) GAAL3MBTL1MAPTALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013674-A INDENONE AMIDE DERIVATIVES, USEFUL FOR FOR THE INHIBITION OF LEUKOCYTE ADHERENCE TO ENDOTHELIAL CELLS; USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, AS ARTHRITIS, ASTHAMA, PSORIASIS, RESPIRATORY DISTRESS SYNDROME, STROKE AND ULCER ELI LILLY AND COMPANY (US) 2000-01-11 US disclosed
EP-0882706-A1 Cell adhesion inhibitors ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed