SCHEMBL7866245

SCHEMBL7866245

CC(C)CCCCCSc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9808024 0.82 KDM4E (0.59) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL11435181 0.82 ALDH1A1 (0.47) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9407999 0.81 ALDH1A1 (0.52) KDM4EALDH1A1HDAC3HDAC4HDAC1
Barium SCHEMBL9986082 0.80 ALDH1A1 (0.50) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9493058 0.79 KDM4E (0.54) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9808069 0.78 KDM4E (0.55) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL10737413 0.77 KDM4E (0.56) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL10484334 0.77 HDAC3 (0.52) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7414719 0.77 HDAC3 (0.54) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9580278 0.76 HDAC3 (0.54) KDM4EALDH1A1HDAC3HDAC4HDAC1

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
EP-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
EP-0632031-B1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 2000-05-03 EP disclosed
EP-0546177-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1998-01-07 EP disclosed
US-5574061-A ANTILIPEMIC AGENT, ANTIATHEROSCLEROSIS, ACAT INHIBITOR TEIJIN LIMITED (JP) 1996-11-12 US disclosed
US-5496853-A FOR TREATING HYPERCHOLESTEROLEMIA TEIJIN LIMITED (JP) 1996-03-05 US disclosed
EP-0632031-A1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-01-04 EP disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed
EP-0546177-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1993-06-16 EP disclosed