SCHEMBL9709577

SCHEMBL9709577

CCCC(=O)CCc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.59
POLB P06746 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PDPK1 O15530 1/20 0.45
F2RL1 P55085 1/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 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
SCHEMBL4484073 0.90 FFAR1 (0.53) POLBCTDSP1FFAR1FFAR4PDPK1
Hydrochloric Acid SCHEMBL27881428 0.88 FFAR1 (0.51) POLBCTDSP1FFAR1FFAR4PDPK1
SCHEMBL29039047 0.86 IAPP (0.58) IAPPPOLBCTDSP1FFAR1FFAR4
SCHEMBL13286340 0.85 TDP1 (0.59) POLBFFAR1FFAR4
SCHEMBL9680739 0.84 MMP12 (0.55) POLBCTDSP1HDAC2HDAC8FFAR1
SCHEMBL12144575 0.82 FFAR1 (0.59) POLBHDAC1HDAC2HDAC8HDAC6
SCHEMBL9300862 0.82 KMT2A (0.50) IAPPPOLBCTDSP1
SCHEMBL1053043 0.82 IAPP (0.66) IAPPPOLBHDAC2HDAC8F2RL1
SCHEMBL1051720 0.82 IAPP (0.61) IAPPHDAC3HDAC4HDAC1HDAC7
SCHEMBL28238496 0.81 IAPP (0.58) IAPPPOLBCTDSP1F2RL1BCHE

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-5157040-A Treatment of hypertension, ocular hypertension and some CNS disorders MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0507594-A1 Substituted quinolines as angiotensin II antagonists MERCK & CO. INC. (US) 1992-10-07 EP disclosed