SCHEMBL7109716

SCHEMBL7109716

CC(O)(Cc1ccccc1)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSP90AA1 P07900 3/20 0.50
SLC6A2 P23975 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
TRPA1 O75762 1/20 0.42
FDPS P14324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR1 P03372 1/20 0.36
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL6432381 0.81 HSP90AA1 (0.54) ALDH1A1TSHRTDP1HSP90AA1SLC6A2
SCHEMBL18766199 0.81 MEN1 (0.47) ALDH1A1HSP90AA1SLC6A2TAAR1CYP2C9
SCHEMBL1844955 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HSP90AA1SLC6A2
SCHEMBL7550163 0.78 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSP90AA1CYP2C9
SCHEMBL11136251 0.78 TSHR (0.46) ALDH1A1TSHRTDP1SLC6A2TAAR1
SCHEMBL18076576 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTDP1HSP90AA1SLC6A2
SCHEMBL11211304 0.75 CYP2C19 (0.61) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL17775050 0.75 CYP2C19 (0.56) ALDH1A1SLC6A2TAAR1CYP2C9CYP2C19
SCHEMBL3583487 0.75 CYP2C19 (0.61) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL9327128 0.74 ALDH1A1 (0.71) ALDH1A1TSHRTDP1CYP2C9CYP1A2

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
EP-1348005-A1 FLAME RETARDANT CARBONATE POLYMERS AND USE THEREOF 3M Innovative Properties Company (US) 2003-10-01 EP disclosed
WO-2002051925-A1 FLAME RETARDANT CARBONATE POLYMERS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-07-04 WO disclosed