SCHEMBL2139961

SCHEMBL2139961

CCC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.59
ESR2 Q92731 13/20 0.59
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 3/20 0.50
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
AR P10275 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR6 P50406 1/20 0.50
ESRRG P62508 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 2/20 0.48
SHBG P04278 1/20 0.47

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
SCHEMBL68287 0.93 ESR1 (0.62) ESR1ESR2MEN1KMT2ACYP3A4
Methyl Alcohol SCHEMBL28148921 0.91 ESR1 (0.60) ESR1ESR2MEN1KMT2ACYP3A4
SCHEMBL28498986 0.87 ESR1 (0.56) ESR1ESR2CYP3A4LMNATYR
Formaldehyde SCHEMBL5931212 0.87 ESR1 (0.56) ESR1ESR2MEN1KMT2ACYP3A4
Bisphenol A SCHEMBL674171 0.87 ESR1 (0.70) ESR1ESR2MEN1KMT2ACYP3A4
SCHEMBL23905030 0.85 ESR1 (0.63) ESR1ESR2CYP3A4LMNATYR
Phenol SCHEMBL8467840 0.85 ESR1 (0.57) ESR1ESR2CYP3A4LMNATYR
SCHEMBL822723 0.85 ACHE (0.54) ESR1ESR2MEN1KMT2ACYP3A4
SCHEMBL22335854 0.83 ESR1 (0.80) ESR1ESR2MEN1KMT2ACYP3A4
SCHEMBL4063477 0.83 ESR1 (0.80) ESR1ESR2MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466225-B2 Aromatic polycarbonate resin composition and molded body thereof IDEMITSU KOSAN CO., LTD. (JP) 2013-06-18 US disclosed
US-20110065835-A1 AROMATIC POLYCARBONATE RESIN COMPOSITION AND MOLDED BODY THEREOF IDEMITSU KOSAN CO., LTD. (JP) 2011-03-17 US disclosed
EP-1783549-B1 POSITIVE PHOTOSENSITIVE COMPOSITION THINK LABS KK (JP) 2008-10-15 EP disclosed