SCHEMBL7596342

SCHEMBL7596342

BrCCCCc1cccc(CCCCI)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOS1 P29475 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IGF1R P08069 2/20 0.36
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
MGLL Q99685 1/20 0.33
MAOA P21397 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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 0.96 ALOX15 (0.38) ALOX15ALDH1A1HPGDALOX12CASP1
SCHEMBL7598359 0.90 ALOX15 (0.39) ALOX15ALDH1A1HPGDALOX12CASP1
SCHEMBL9671720 0.89 TDP1 (0.44) ALOX15NOS1TDP1MEN1KMT2A
SCHEMBL2181233 0.87 LPL (0.43) ALOX15NOS1TDP1MEN1KMT2A
SCHEMBL9860710 0.87 LPL (0.43) ALOX15NOS1TDP1MEN1KMT2A
SCHEMBL7601262 0.87 GPR84 (0.31)
SCHEMBL7597599 0.86 ALOX15 (0.50) ALOX15ALDH1A1HPGDALOX12CASP1
SCHEMBL7598822 0.83 THRA (0.41) ALOX15ALDH1A1HPGDALOX12CASP1
SCHEMBL4402199 0.83 TDP1 (0.46) ALOX15ALDH1A1NOS1TDP1MEN1
SCHEMBL27821889 0.80 PNMT (0.45) ALDH1A1NOS1TAAR1MAOA

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