SCHEMBL7598359

SCHEMBL7598359

BrCCCc1cccc(CCCI)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NOS1 P29475 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 3/20 0.35
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
CYP2D6 P10635 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
IGF1R P08069 1/20 0.33
LMNA P02545 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL7601347 0.94 ALOX15 (0.38) ALOX15ALDH1A1HPGDALOX12CASP1
SCHEMBL7597599 0.92 ALOX15 (0.50) ALOX15ALDH1A1HPGDALOX12CASP1
SCHEMBL7596342 0.90 ALOX15 (0.38) ALOX15ALDH1A1HPGDALOX12CASP1
SCHEMBL4402199 0.89 TDP1 (0.46) ALOX15ALDH1A1TDP1NOS1MEN1
SCHEMBL7600688 0.87
SCHEMBL7600636 0.82 ALDH1A1 (0.40) ALOX15ALDH1A1HPGDALOX12CASP1
SCHEMBL9671720 0.82 TDP1 (0.44) ALOX15TDP1NOS1MEN1KMT2A
SCHEMBL9860710 0.80 LPL (0.43) ALOX15TDP1NOS1MEN1KMT2A
SCHEMBL2181233 0.80 LPL (0.43) ALOX15TDP1NOS1MEN1KMT2A
SCHEMBL18761741 0.79 TDP1 (0.48) ALOX15ALDH1A1TDP1NOS1MEN1

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-20020028886-A1 Fluorocopolymer and process for preparing the same NIPPON MEKTRON, LTD. 2002-03-07 US disclosed
US-6281312-B1 USING AN ORGANOHALOGEN COMPOUND NIPPON MEKTRON, LTD. (JP) 2001-08-28 US disclosed