SCHEMBL11280355

SCHEMBL11280355

CCOC(=O)c1c(CO)c(C)n(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
USP2 O75604 1/20 0.54
AR P10275 1/20 0.46
GAA P10253 4/20 0.44
MAPT P10636 4/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL69046 0.85 KMT2A (0.69) KMT2AUSP2ARGAAMAPT
SCHEMBL11281133 0.84 KMT2A (0.56) KMT2AUSP2ARGAAMAPT
SCHEMBL11788500 0.79 KMT2A (0.62) KMT2AUSP2ARGAAMAPT
SCHEMBL11276657 0.74 MAPT (0.56) KMT2AUSP2ARGAAMAPT
SCHEMBL13754328 0.73 KDM4E (0.59) KMT2AUSP2GAAALDH1A1KDM4E
SCHEMBL11363402 0.73 KMT2A (1.00) KMT2AUSP2GAAMAPTALDH1A1
SCHEMBL26967883 0.72 KMT2A (0.54) KMT2AUSP2ARGAAMAPT
SCHEMBL3364773 0.71 KMT2A (0.67) KMT2AUSP2ARGAAMAPT
SCHEMBL21408329 0.71 KMT2A (0.67) KMT2AUSP2ARGAAMAPT
SCHEMBL2760357 0.71 KMT2A (0.57) KMT2AUSP2ARGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4345087-A Process for preparing heteroarylbenzoxepin-acetic acids, precursors and derivatives thereof AMERICAN HOECHST CORPORATION (US) 1982-08-17 US disclosed
US-4124713-A Oxopyridobenzoxepin-acetic acids and derivatives thereof useful as antiinflammatory and analgesic agents AMERICAN HOECHST CORPORATION (US) 1978-11-07 US disclosed
US-4117152-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOECHST CORPORATION (US) 1978-09-26 US disclosed
US-4107321-A ANTIINFLAMMATORY AGENTS, ANALGESICS AMERICAN HOECHST CORPORATION (US) 1978-08-15 US disclosed
US-4107177-A CYCLIZING (CARBOXYTHIENYLOXY)BENZENEACETIC ACID WITH DEHYDRATING AGENT AMERICAN HOECHST CORPORATION (US) 1978-08-15 US disclosed
US-4101559-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1978-07-18 US disclosed
US-4081457-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1978-03-28 US disclosed
US-4025640-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1977-05-24 US disclosed