SCHEMBL5038515

SCHEMBL5038515

C=Cc1ccc(CC)cc1.CCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HTR2A P28223 3/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
Styrene SCHEMBL5101848 0.89 ALDH1A1 (0.58) ALDH1A1TSHRHTR2ARELAMEN1
Styrene SCHEMBL11312642 0.89 ALDH1A1 (0.58) ALDH1A1TSHRHTR2ARELAMEN1
Styrene SCHEMBL27992057 0.88 ALDH1A1 (0.56) ALDH1A1TSHRHTR2ARELAMEN1
Styrene SCHEMBL9795236 0.88 ALDH1A1 (0.61) ALDH1A1TSHRTP53CASP3SENP7
Styrene SCHEMBL28445881 0.86 ALDH1A1 (0.54) ALDH1A1TSHRHTR2ARELAMEN1
SCHEMBL1503079 0.85 ALDH1A1 (0.48) ALDH1A1TSHRTP53HTR2ARELA
SCHEMBL659018 0.84 ALDH1A1 (0.52) ALDH1A1TSHRHTR2ARELATDP1
SCHEMBL9131824 0.84 ALOX5 (0.50) ALDH1A1TP53ALOX5PTGS1PTGS2
SCHEMBL9131838 0.84 ALOX5 (0.50) ALDH1A1TP53ALOX5PTGS1PTGS2
SCHEMBL659019 0.84 ALDH1A1 (0.52) ALDH1A1TSHRHTR2ARELATDP1

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-7446153-B2 Preparation of brominated styrenic polymers or resins ALBEMARLE CORPORATION (US) 2008-11-04 US disclosed
US-20070149718-A1 PREPARATION OF BROMINATED STYRENIC POLYMERS OR RESINS ALBEMARLE CORPORATION (US) 2007-06-28 US disclosed