SCHEMBL8102740

SCHEMBL8102740

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 2/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL8102528 0.87 ALDH1A1 (0.41) GAACNR1CNR2MAPTALDH1A1
SCHEMBL8106239 0.87 GAA (0.44) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8106211 0.85 GAA (0.43) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8100379 0.85 GAA (0.43) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8100257 0.84 GAA (0.45) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8102130 0.83 GAA (0.47) GAATDP1L3MBTL1EPHX2
SCHEMBL8100746 0.82 GAA (0.41) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8093123 0.82 SMN1; SMN2 (0.44) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8108719 0.82 GAA (0.41) GAATDP1L3MBTL1CNR1CNR2
SCHEMBL8102148 0.82 TDP2 (0.52) GAAMAPTALDH1A1KMT2ANPC1

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