SCHEMBL8505209

SCHEMBL8505209

COc1ccc(NC(=O)OC(C)(C)C)c(CCCC=O)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.39
▸ MTNR1B P49286 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NR1I2 O75469 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL8924801 0.85 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1NR1I2KDM4E
SCHEMBL24254051 0.82 ALDH1A1 (0.46) ALDH1A1NR1I2MEN1KMT2AF10
SCHEMBL8502442 0.82 MAPT (0.46) MTNR1AMTNR1BALDH1A1NR1I2MEN1
SCHEMBL8762406 0.77 ALDH1A1 (0.41) ALDH1A1NR1I2MEN1KMT2AF10
SCHEMBL2156670 0.77 AKR1C3 (0.48) ALDH1A1NR1I2MEN1KMT2AF10
SCHEMBL29954247 0.76 ERN1 (0.49) ALDH1A1NR1I2TSHRNPSR1F10
SCHEMBL3225589 0.76 NR1I2 (0.41) ALDH1A1NR1I2TSHRNPSR1MEN1
SCHEMBL7962276 0.75 AKR1C3 (0.41) MTNR1AMTNR1BALDH1A1NR1I2MEN1
SCHEMBL19930245 0.75 KCNQ4 (0.40) MAPT
SCHEMBL3584387 0.74 PIK3CG (0.41) MTNR1AMTNR1BALDH1A1NR1I2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 — — US disclosed
US-5919810-A SEPTIC SHOCK ELI LILLY AND COMPANY (US) 1999-07-06 — — US disclosed
US-5733923-A SECRETORY PANCREATIC PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1998-03-31 — — US disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 — — US disclosed
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