SCHEMBL4859307

SCHEMBL4859307

CC(Cc1ccc(C(C)(C)O)cc1)c1ccc(C(C)(C)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.60
ESR2 Q92731 1/20 0.60
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
PDE4A P27815 1/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
AKR1C3 P42330 2/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
ALB P02768 1/20 0.38
ALOX5 P09917 1/20 0.38
RARB P10826 1/20 0.38
ADRB3 P13945 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
NR1I3 Q14994 1/20 0.38
SLC22A6 Q4U2R8 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
SCHEMBL547639 0.91 ESR1 (0.50) ESR1ESR2EPHX1OPRD1
SCHEMBL19272442 0.85 ESR1 (0.45) ESR1ESR2TSHRTP53PDE4A
SCHEMBL764935 0.82 PTGS1 (0.46) ESR1TSHRTP53PDE4APTGS1
SCHEMBL7806637 0.80 ESR1 (0.76) ESR1ESR2CYP2C9
SCHEMBL10456186 0.80 ESR1 (0.76) ESR1ESR2TSHRCYP2C9SLC6A4
SCHEMBL572776 0.80 ESR1 (0.76) ESR1ESR2CYP2C9
SCHEMBL12040182 0.80 RORC (0.46) TSHRCYP2C9GRIA4OPRD1
SCHEMBL24533708 0.78 GRIA4 (0.38) ESR1ESR2PDE4ALMNACYP2C9
SCHEMBL23854927 0.77 ESR1 (0.50) ESR1ESR2TSHRTP53SLC6A4
SCHEMBL10600155 0.77 ESR1 (0.55) ESR1ESR2PTGS1PTGS2LMNA

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-7323284-B2 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2008-01-29 US disclosed
US-20030022095-A1 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2003-01-30 US disclosed