SCHEMBL8679593

SCHEMBL8679593

CCc1ccc(CC(CC)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.58
ESR2 Q92731 2/20 0.58
TP53 P04637 1/20 0.50
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
LMNA P02545 1/20 0.42
TRPA1 O75762 1/20 0.40
CCR5 P51681 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL1760733 0.90 ESR1 (0.59) ESR1ESR2MTNR1AMTNR1BLMNA
Hydrogen Peroxide SCHEMBL9456548 0.88 ESR1 (0.62) ESR1ESR2MTNR1AMTNR1BLMNA
Ammonia Solution, Strong SCHEMBL7275238 0.88 ESR1 (0.57) ESR1ESR2MTNR1AMTNR1BLMNA
Hydrochloric Acid SCHEMBL7265520 0.86 ESR1 (0.55) ESR1ESR2MTNR1AMTNR1BLMNA
SCHEMBL27833227 0.85 ESR1 (0.82) ESR1ESR2MTNR1AMTNR1BLMNA
SCHEMBL5721773 0.85 ESR1 (0.55) ESR1ESR2MTNR1AMTNR1BLMNA
SCHEMBL21548166 0.85 ESR1 (0.55) ESR1ESR2MTNR1AMTNR1BLMNA
SCHEMBL10069067 0.85 ESR1 (0.55) ESR1ESR2MTNR1AMTNR1BTRPA1
SCHEMBL11542944 0.81 SLC6A4 (0.56) ESR1ESR2MTNR1AMTNR1BLMNA
SCHEMBL1833902 0.81 ESR1 (0.89) ESR1ESR2LMNAMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed