SCHEMBL8108515

SCHEMBL8108515

CCCCC(=O)NC1=C(C)c2cc(OC)c(OC)cc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
EPHX2 P34913 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDR P35968 2/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8106239 0.87 GAA (0.44) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8102446 0.87 GAA (0.44) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8100379 0.86 GAA (0.43) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8106211 0.86 GAA (0.43) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8102306 0.85 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EALOX12CYP1A2
SCHEMBL8100257 0.85 GAA (0.45) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8108565 0.85 L3MBTL1 (0.43) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8108358 0.84 SMN1; SMN2 (0.42) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8102130 0.84 GAA (0.47) GAATDP1L3MBTL1EPHX2
SCHEMBL8100607 0.83 L3MBTL1 (0.41) GAATDP1L3MBTL1MAPTALDH1A1

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