SCHEMBL582001

SCHEMBL582001

CC(C)(C)c1cc(C2(c3ccc(O)c(C(C)(C)C)c3)CCCCC2)ccc1O.Oc1ccc(C2(c3ccc(O)c(-c4ccccc4)c3)CCCCC2)cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
BACE1 P56817 2/20 0.38
ALDH1A1 P00352 5/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
MIF P14174 1/20 0.37
TYR P14679 1/20 0.37
HTT P42858 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
ATP2A2 P16615 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
SCHEMBL30443573 0.88 ESR1 (0.56) ESR1ESR2BACE1ALDH1A1HSD17B10
SCHEMBL29802337 0.88 ESR1 (0.56) ESR1ESR2BACE1ALDH1A1HSD17B10
SCHEMBL9816996 0.88 ESR1 (0.56) ESR1ESR2BACE1ALDH1A1HSD17B10
SCHEMBL29459479 0.88 ESR1 (0.56) ESR1ESR2BACE1ALDH1A1HSD17B10
SCHEMBL9816983 0.88 ESR1 (0.56) ESR1ESR2BACE1ALDH1A1HSD17B10
SCHEMBL9817038 0.88 ESR1 (0.56) ESR1ESR2BACE1ALDH1A1HSD17B10
SCHEMBL9817137 0.88 ESR1 (0.56) ESR1ESR2BACE1ALDH1A1HSD17B10
SCHEMBL3303467 0.88 ESR1 (0.56) ESR1ESR2BACE1ALDH1A1HSD17B10
SCHEMBL297971 0.88 ESR1 (0.56) ESR1ESR2BACE1ALDH1A1HSD17B10
SCHEMBL9817120 0.88 ESR1 (0.56) ESR1ESR2BACE1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020111456-A1 Method of polycarbonate preparation SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2002-08-15 US claimed
EP-1307499-B2 CONTINUOUS PREPARATION OF POLYCARBONATE GEN ELECTRIC (US) 2012-02-15 EP disclosed
EP-1307499-B1 CONTINUOUS PREPARATION OF POLYCARBONATE GEN ELECTRIC (US) 2006-10-25 EP disclosed
US-6562937-B2 Endcapping with phenol GENERAL ELECTRIC COMPANY 2003-05-13 US disclosed