SCHEMBL28811325

SCHEMBL28811325

Clc1ccc(Cc2ccc(CCCBr)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
KCNH2 Q12809 4/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 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
SCHEMBL81407 0.93 TAAR1 (0.52) TAAR1IGF1RALOX15KCNH2HTR3E
SCHEMBL1008937 0.86 IGF1R (0.53) TAAR1IGF1RALOX15KCNH2HTR3E
SCHEMBL27961329 0.86 TAAR1 (0.50) TAAR1IGF1RALOX15HTR3EHTR3B
SCHEMBL7217191 0.84 KCNH2 (0.53) TAAR1IGF1RALOX15KCNH2HTR3E
SCHEMBL7562217 0.84 KCNH2 (0.53) TAAR1IGF1RALOX15KCNH2HTR3E
SCHEMBL7464785 0.84 KCNH2 (0.53) TAAR1IGF1RALOX15KCNH2HTR3E
SCHEMBL11460578 0.84 KCNH2 (0.53) TAAR1IGF1RALOX15KCNH2HTR3E
SCHEMBL5596095 0.84 KCNH2 (0.53) TAAR1IGF1RALOX15KCNH2HTR3E
SCHEMBL7562067 0.84 KCNH2 (0.53) TAAR1IGF1RALOX15KCNH2HTR3E
SCHEMBL7614753 0.84 KCNH2 (0.53) TAAR1IGF1RALOX15KCNH2HTR3E

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
CN-101790311-B Benzylbenzene derivatives and methods of use THERACOS INC 2014-04-23 CN disclosed