SCHEMBL10815985

SCHEMBL10815985

COC(=O)Cc1c(C(=O)OC)ccn1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NR4A2 P43354 2/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL11199031 0.92 GAA (0.40) CYP4F2CYP4A11GAAL3MBTL1KDM4E
SCHEMBL11202548 0.90 GAA (0.39) CYP4F2CYP4A11GAAL3MBTL1KDM4E
SCHEMBL10397397 0.87 GAA (0.38) CYP4F2CYP4A11GAAL3MBTL1KDM4E
SCHEMBL10398085 0.87 GAA (0.38) CYP4F2CYP4A11GAAL3MBTL1KDM4E
SCHEMBL10398506 0.87 GAA (0.38) CYP4F2CYP4A11GAAL3MBTL1KDM4E
SCHEMBL11200164 0.85 GAA (0.39) CYP4F2CYP4A11GAAL3MBTL1POLB
SCHEMBL11202739 0.83 GAA (0.39) CYP4F2CYP4A11GAAL3MBTL1POLB
SCHEMBL3987342 0.81 KDM4E (0.41) CYP4F2CYP4A11GAAL3MBTL1KDM4E
SCHEMBL10814009 0.81 KMT2A (0.35) GAAL3MBTL1KDM4EPOLBHSD17B10
SCHEMBL11195432 0.79 GAA (0.36) GAAL3MBTL1KDM4EPOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114632-B1 5-(4-VINYL- OR 4-ETHYNYLBENZOYL)-1,2-DIHYDRO-3H-PYRROLO-(1,2-A)-PYRROLE-1-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP disclosed
US-4560699-A ANTIPYRETICS, ANTICOAGULANTS, VASODILAAORS, MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1985-12-24 US disclosed
EP-0114632-A1 5-(4-Vinyl- or 4-ethynylbenzoyl)-1,2-dihydro-3H-pyrrolo-(1,2-A)-pyrrole-1-carboxylic acids and derivatives thereof SYNTEX (U.S.A.) INC. (US) 1984-08-01 EP disclosed
US-4232038-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, AND MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1980-11-04 US disclosed
US-4097579-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1978-06-27 US disclosed
US-4089969-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, SMOOTH MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1978-05-16 US disclosed
US-4087539-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SMOOTH MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1978-05-02 US disclosed