SCHEMBL7718835

SCHEMBL7718835

CCC(C(=O)OC)c1ccc(CCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.55
▸ ESR2 Q92731 1/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GPR88 Q9GZN0 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ KDM4A O75164 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ AKR1C3 P42330 3/20 0.38
▸ AKR1C2 P52895 3/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL11368695 0.87 GAA (0.42) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL14340687 0.86 ESR1 (0.58) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL27676916 0.83 L3MBTL1 (0.61) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL7629387 0.83 L3MBTL1 (0.61) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL7716661 0.81 KMT2A (0.46) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL7716645 0.81 ESR1 (0.70) ESR1ESR2L3MBTL1MAPTLMNA
SCHEMBL1476384 0.81 L3MBTL1 (0.57) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL11362749 0.81 CYP2C9 (0.48) ESR1L3MBTL1MEN1KMT2ACRHBP
SCHEMBL27849507 0.81 ESR1 (0.53) ESR1ESR2L3MBTL1MEN1KMT2A
SCHEMBL6046251 0.79 ESR1 (0.50) ESR1ESR2L3MBTL1MEN1KMT2A

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-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 — — US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 — — EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 — — US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 — — US disclosed
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