SCHEMBL7716761

SCHEMBL7716761

COC(=O)CCc1cccc(CCl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ PTPN1 P18031 2/20 0.44
▸ CYP4F2 P78329 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ TBXAS1 P24557 1/20 0.42
▸ TSHR P16473 1/20 0.41

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
SCHEMBL7716656 0.90 MTNR1A (0.47) SIRT2KDM4EALDH1A1LMNACYP4F2
SCHEMBL12255149 0.85 SIRT2 (0.52) SIRT2KDM4EALDH1A1LMNACYP11B1
SCHEMBL19540906 0.85 SIRT2 (0.52) SIRT2KDM4EALDH1A1LMNACYP11B1
SCHEMBL28655132 0.85 SLC7A5 (0.57) SIRT2KDM4EALDH1A1LMNACYP11B1
SCHEMBL1410879 0.85 SIRT2 (0.52) SIRT2KDM4EALDH1A1LMNACYP11B1
SCHEMBL3295184 0.83 SIRT2 (0.51) SIRT2KDM4EALDH1A1LMNACYP11B1
SCHEMBL15504971 0.83 SIRT2 (0.51) SIRT2KDM4EALDH1A1LMNACYP11B1
SCHEMBL5043214 0.83 LOXL2 (0.57) SIRT2KDM4EALDH1A1LMNACYP11B1
SCHEMBL9545043 0.83 KMT2A (0.54) SIRT2ALDH1A1
SCHEMBL480042 0.83 SLC7A5 (0.59) KDM4EALDH1A1LMNACYP4F2CYP4A11

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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