SCHEMBL3681031

SCHEMBL3681031

CC(C)(c1ccc(O)cc1)c1cc(C(C)(C)c2ccc(O)cc2)cc(C(C)(C)c2ccc(O)cc2)c1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.73
ESR2 Q92731 9/20 0.73
CYP3A4 P08684 3/20 0.73
HPGD P15428 2/20 0.73
TSHR P16473 2/20 0.73
HSD17B10 Q99714 2/20 0.73
AR P10275 1/20 0.73
SLC6A2 P23975 1/20 0.73
SLC6A4 P31645 1/20 0.73
HTR6 P50406 1/20 0.73
ESRRG P62508 1/20 0.73
SLC6A3 Q01959 1/20 0.73
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.52
TYR P14679 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SHBG P04278 1/20 0.43
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41

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
SCHEMBL35973 0.93 ESR1 (0.84) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL76175 0.93 ESR1 (0.84) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL1456440 0.88 ESR1 (0.70) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL2786793 0.88 ESR1 (0.85) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL461894 0.86 ESR1 (0.73) ESR1ESR2CYP3A4HPGDTSHR
Bisphenol A SCHEMBL15062 0.85 ESR1 (1.00) ESR1ESR2CYP3A4HPGDTSHR
Bisphenol A SCHEMBL8058731 0.85 ESR1 (1.00) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL22335854 0.85 ESR1 (0.80) ESR1ESR2CYP3A4HPGDTSHR
Bisphenol A SCHEMBL9774987 0.85 ESR1 (1.00) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL27996 0.85 ESR1 (1.00) ESR1ESR2CYP3A4HPGDTSHR

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-20100204390-A1 THERMOPLASTIC RESIN COMPOSITION AND MOLDED BODY OBTAINED FROM THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-08-12 US disclosed
EP-2204418-A1 THERMOPLASTIC RESIN COMPOSITION AND MOLDED BODY OBTAINED FROM THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-07-07 EP disclosed