SCHEMBL4948764

SCHEMBL4948764

CC(Br)(C(Br)(Br)c1ccccc1)C(C)(Br)C(Br)(Br)c1c(Br)c(Br)c(Br)c(Br)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL4952600 0.82 TAAR1 (0.32) KCNN4MAPK1TAAR1CYP2C19HIF1A
SCHEMBL4952329 0.78 KCNN4 (0.34) KCNN4MAPK1ALDH1A1TSHR
SCHEMBL4947666 0.78 KCNN4 (0.34) KCNN4MAPK1ALDH1A1TSHR
SCHEMBL4949811 0.77 KCNN4 (0.33) KCNN4ALDH1A1TSHR
SCHEMBL4950368 0.76 TAAR1 (0.33) KCNN4MAPK1TAAR1HDAC3HDAC4
SCHEMBL21647231 0.74 ALDH1A1 (0.50) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL4952285 0.72 KCNN4 (0.33) KCNN4ALDH1A1TSHR
SCHEMBL4813303 0.70 KCNN4 (0.38) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL15064283 0.70 ALDH1A1 (0.38) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL4951626 0.70 KCNN4 (0.39) KCNN4MAPK1ALDH1A1TAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378449-B2 Poly(bromoaryl)alkane additives and methods for their preparation and use ALBEMARLE CORPORATION (US) 2008-05-27 US disclosed
US-20070093582-A1 POLY(BROMOARYL)ALKANE ADDITIVES AND METHODS FOR THEIR PREPARATION AND USE ALBEMARLE CORPORATION (US) 2007-04-26 US disclosed
US-7129385-B2 Poly(bromoaryl)alkane additives and methods for their preparation and use ALBEMARLE CORPORATION (US) 2006-10-31 US disclosed
US-20040195087-A1 Poly(bromoaryl)alkane additives and methods for their preparation and use ALBEMARLE CORPORATION 2004-10-07 US disclosed
US-6743825-B1 Poly(bromoaryl)alkane additives and methods for their preparation and use ALBEMARLE CORPORATION 2004-06-01 US disclosed