SCHEMBL7600636

SCHEMBL7600636

BrCCCc1ccc(CCCI)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
HTR2A P28223 3/20 0.33
MAOB P27338 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 3/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL7598822 0.88 THRA (0.41) ALDH1A1HSD17B10HPGDALOX15ALOX12
SCHEMBL9671990 0.87 TDP1 (0.48) ALDH1A1HSD17B10ALOX15TDP1THRA
SCHEMBL7600688 0.85
SCHEMBL7598359 0.82 ALOX15 (0.39) ALDH1A1HSD17B10HPGDALOX15ALOX12
SCHEMBL18857012 0.80 TAAR1 (0.52) ALDH1A1HSD17B10HPGDALOX15ALOX12
SCHEMBL7560719 0.80 SIGMAR1 (0.40) TDP1CYP3A4
SCHEMBL7600338 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDALOX15ALOX12
SCHEMBL2181329 0.79 HRH3 (0.42) ALDH1A1HSD17B10TDP1MAOBMEN1
SCHEMBL2177163 0.78 THRA (0.47) ALDH1A1HSD17B10ALOX15TDP1THRA
SCHEMBL7597599 0.78 ALOX15 (0.50) ALDH1A1HSD17B10HPGDALOX15ALOX12

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