SCHEMBL8524729

SCHEMBL8524729

Clc1ccc(-c2ccccc2)cc1.O=C(O)C(=O)CCCSc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL8524420 0.79 HDAC1 (0.48) RAB9AALDH1A1HPGDKMT2AMAPT
SCHEMBL4339780 0.75 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL8482201 0.73 CES2 (0.51) ALDH1A1HPGDMAPTL3MBTL1HDAC1
SCHEMBL3867561 0.71 HPGD (0.53) RAB9ANPC1ALDH1A1HPGDMAPT
SCHEMBL8480256 0.71 HDAC1 (0.56) HPGDL3MBTL1HDAC1HDAC2HDAC3
SCHEMBL8484815 0.71 HDAC1 (0.56) HPGDL3MBTL1HDAC1HDAC2HDAC3
SCHEMBL8408930 0.71 L3MBTL1 (0.56) RAB9ANPC1HPGDKMT2AMAPT
SCHEMBL8525575 0.71 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AMAPTL3MBTL1
SCHEMBL6278596 0.70 HPGD (0.55) RAB9ANPC1ALDH1A1HPGDMAPT
SCHEMBL8408111 0.70 L3MBTL1 (0.59) RAB9ANPC1HPGDKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874473-A OSTEOPOROSIS; ANTIARTHRITIC AGENTS BAYER CORPORATION (US) 1999-02-23 US disclosed