SCHEMBL7219368

SCHEMBL7219368

C=C(C)C(=O)Oc1c(Br)cc(C(C)(C)c2cc(Br)c(CCC)c(Br)c2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
RET P07949 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31
PDGFRA P16234 1/20 0.31
KDR P35968 1/20 0.31
MAPK8 P45983 1/20 0.31
RPS6KA3 P51812 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
SCHEMBL674146 0.88 ALDH1A1 (0.44) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL10409152 0.82 HIF1A (0.56) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL7212848 0.82 THRB (0.43) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL10606162 0.80 ALDH1A1 (0.41) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL14173150 0.76 ELANE (0.36) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL11043033 0.75 THRB (0.36) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL672151 0.75 ALDH1A1 (0.43) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL3411706 0.74 THRB (0.47) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL11997925 0.73 THRB (0.43) ALDH1A1ALOX15ALOX12CYP3A4HPGD
SCHEMBL6939287 0.72 HSD17B10 (0.50) ALDH1A1ALOX15ALOX12CYP3A4HPGD

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-6624236-B1 Sol-gel-condensable cyclosiloxane(meth) acrylates; dentistry 3M ESPE AG (DE) 2003-09-23 US disclosed
EP-1141094-B1 CYCLOSILOXANE-BASED CROSS-LINKABLE MONOMERS, PRODUCTION THEREOF AND USE THEREOF IN POLYMERISABLE MATERIALS 3M ESPE AG (DE) 2002-07-24 EP disclosed