SCHEMBL9795277

SCHEMBL9795277

O=[C]C(NC(=O)c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.49
▸ LMNA P02545 5/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ CTRB1 P17538 1/20 0.44
▸ DEGS1 O15121 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CES2 O00748 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8075796 0.92 GFER (0.46) HPGDSLMNAALDH1A1HPGDESR1
SCHEMBL9331303 0.83 TOP1 (0.50) HPGDSALDH1A1HDAC6KDM4EGAA
SCHEMBL8082564 0.79 MEN1 (0.49) HPGDSLMNAALDH1A1HPGDKDM4E
SCHEMBL11532618 0.77 ALDH1A1 (0.56) HPGDSLMNANPC1ALDH1A1HPGD
SCHEMBL3756762 0.77 ALDH1A1 (0.73) LMNANPC1ALDH1A1HPGDKDM4E
SCHEMBL2919150 0.77 ALDH1A1 (0.73) LMNANPC1ALDH1A1HPGDKDM4E
SCHEMBL3755011 0.77 ALDH1A1 (0.73) LMNANPC1ALDH1A1HPGDKDM4E
SCHEMBL10546059 0.76 GFER (0.47) LMNAALDH1A1HPGDESR1ESR2
SCHEMBL9848415 0.75 LMNA (0.53) HPGDSLMNANPC1ALDH1A1HPGD
SCHEMBL11700544 0.74 MTNR1A (0.44) ALDH1A1CTRB1KDM4EKMT2AHSD17B10

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-5037975-A Antibiotics ELI LILLY AND COMPANY (US) 1991-08-06 — — US disclosed
US-4939249-A HEATING CEPHALOSPORIN 1,1-DIOXIDE IN SOLVENT WITH FREE RADICAL INITIATOR ELI LILLY AND COMPANY (US) 1990-07-03 — — US disclosed
Send feedback