SCHEMBL9800602

SCHEMBL9800602

CC(C)c1c(O)ccc(Br)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.35
ALOX12 P18054 3/20 0.35
TYR P14679 1/20 0.34
GAA P10253 4/20 0.33
GABRA1 P14867 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
HIF1A Q16665 2/20 0.33
GABRB2 P47870 2/20 0.33
AHR P35869 1/20 0.33
GABRB1 P18505 2/20 0.32
RNASEH1 O60930 1/20 0.31
NQO2 P16083 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
THRA P10827 1/20 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
SCHEMBL16860598 0.80
SCHEMBL10719472 0.78 TSHR (0.33) ALDH1A1HIF1ASMN1; SMN2MEN1KMT2A
SCHEMBL1760433 0.77 TYR (0.44) ALOX15ALOX12TYRGAAGABRA1
SCHEMBL30360391 0.77 TYR (0.44) ALOX15ALOX12TYRGAAGABRA1
SCHEMBL11049533 0.74 GABRA1 (0.33) GABRA1HIF1AGABRB2GABRB1TRPA1
SCHEMBL5951042 0.73 GABRA1 (0.43) ALOX15ALOX12TYRGABRA1ALDH1A1
SCHEMBL29175425 0.71 LMNA (0.42) ALOX12TYRGAAGABRA1ALDH1A1
SCHEMBL13773184 0.70 RNASEH1 (0.45) ALOX15ALOX12TYRGAAGABRA1
SCHEMBL25414587 0.69 ALOX15 (0.43) ALOX15ALOX12GAAALDH1A1HTT
SCHEMBL94834 0.69 ALOX15 (0.43) ALOX15ALOX12GAAALDH1A1HTT

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
JP-3093849-A None JP disclosed
JP-H0393849-A FLAME-RETARDANT PHENOL RESIN COMPOSITION SUMITOMO BAKELITE CO LTD 1991-04-18 JP disclosed