SCHEMBL7716656

SCHEMBL7716656

COC(=O)CCCc1cccc(CCl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 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
SCHEMBL7716761 0.90 SIRT2 (0.51) MTNR1AMTNR1BCYP4F2CYP4A11ALDH1A1
SCHEMBL5562569 0.86 CYP4F2 (0.50) MTNR1AMTNR1BCYP4F2CYP4A11HDAC1
SCHEMBL22070693 0.86 CYP4F2 (0.58) MTNR1AMTNR1BCYP4F2CYP4A11HDAC1
SCHEMBL19078963 0.85 ALOX5 (0.54) CYP4F2CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL4841796 0.84 LOXL2 (0.54) MTNR1AMTNR1BCYP4F2CYP4A11HDAC1
SCHEMBL7718832 0.83 TSHR (0.48) CYP4F2CYP4A11ALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL4841789 0.83 LOXL2 (0.53) MTNR1AMTNR1BCYP4F2CYP4A11HDAC1
SCHEMBL13948868 0.83 NPC1 (0.54) CYP4F2CYP4A11HDAC1HDAC6ALDH1A1
SCHEMBL28151357 0.83 HDAC6 (0.57) CYP4F2CYP4A11HDAC1HDAC6ALDH1A1
SCHEMBL7173394 0.81 ALDH1A1 (0.47) MTNR1AMTNR1BCYP4F2CYP4A11HDAC1

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