SCHEMBL10918605

SCHEMBL10918605

O=C(O)CCCSCC(=O)CC(=O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.46
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC3 O15379 3/20 0.46
▸ HDAC4 P56524 3/20 0.46
▸ HDAC7 Q8WUI4 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC10 Q969S8 3/20 0.46
▸ HDAC11 Q96DB2 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC9 Q9UKV0 3/20 0.46
▸ HDAC5 Q9UQL6 3/20 0.46
▸ PLA2G4B P0C869 2/20 0.44
▸ HAO1 Q9UJM8 1/20 0.44
▸ GSK3B P49841 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40

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
SCHEMBL10647153 0.87 HDAC1 (0.53) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL10916871 0.77 MAPT (0.52) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL100781 0.74 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6138764 0.74 HDAC1 (0.66) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3381070 0.73 HDAC8 (0.69) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7828372 0.73 HDAC8 (0.69) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL2635792 0.72 HAO1 (0.63) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL9622162 0.71 MAPT (0.53) PLA2G4BHAO1MAPTALDH1A1MEN1
SCHEMBL100952 0.70 NR4A2 (0.65) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL10645619 0.70 HDAC1 (0.45) HDAC1HDAC8HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4600540-A &MMUNOLOGY, ANTIARTHRITIC, ANTICARCINOGENIC, BACTERICIDES, ASTHMA TAISHO PHARMACEUTICAL CO., LTD. (JP) 1986-07-15 — — US disclosed
EP-0164101-A2 Benzoylpropionic acid derivatives, their use and pharmaceutical compositions TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-12-11 — — EP disclosed
Send feedback