SCHEMBL2930830

SCHEMBL2930830

Oc1ccc(C(c2ccc(O)cc2)C(Cc2cccc3ccccc23)(c2ccc(O)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.39
CTNNB1 P35222 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACP3 P15309 1/20 0.36
LMNA P02545 2/20 0.36
ALPL P05186 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALPI P09923 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALPG P10696 1/20 0.36

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
SCHEMBL23861369 0.76 MEN1 (0.46) TDP1MEN1KMT2AHPGDCYP1A2
SCHEMBL476990 0.75 CTNNB1 (0.51) ADRB2CTNNB1SLC1A3SLC1A2SLC1A1
SCHEMBL8585605 0.73 CTNNB1 (0.45) ADRB2CTNNB1SLC1A3SLC1A2SLC1A1
SCHEMBL28268958 0.72 ALDH1A1 (0.41) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8963452 0.66 KEAP1 (0.60) TDP1CYP2C19ESR1ESR2
SCHEMBL5699549 0.65 AKR1B1 (0.57) TDP1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28376007 0.65 ESR1 (0.55) TDP1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL808870 0.64 TDP1 (0.53) CTNNB1TDP1HPGDCYP1A2CYP2C9
SCHEMBL6437231 0.64 CYP2C19 (0.50) TDP1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL2596077 0.64 TDP1 (0.48) CTNNB1TDP1MEN1KMT2AHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084227-B1 THERMOPLASTIC COMPOSITION, METHOD OF MANUFACTURE THEREOF, AND ARTICLES DERIVED THEREFROM SABIC INNOVATIVE PLASTICS IP (NL) 2010-09-29 EP disclosed