SCHEMBL6499482

SCHEMBL6499482

CCCCCCOc1cc(C)c(Br)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.50
PLA2G2A P14555 2/20 0.50
THRA P10827 2/20 0.50
NR5A1 Q13285 1/20 0.47
TSHR P16473 2/20 0.46
BLM P54132 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
SMPD1 P17405 3/20 0.42
LTA4H P09960 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL20503338 1.00 THRB (0.50) THRBPLA2G2ATHRANR5A1TSHR
SCHEMBL8644570 1.00 THRB (0.50) THRBPLA2G2ATHRANR5A1TSHR
SCHEMBL6508886 0.92 ALDH1A1 (0.45) THRBPLA2G2ATHRANR5A1TSHR
SCHEMBL8642187 0.88 THRB (0.48) THRBPLA2G2ATHRANR5A1TSHR
SCHEMBL15298486 0.84 PLA2G2A (0.53) THRBPLA2G2ATHRANR5A1TSHR
SCHEMBL18886699 0.81 PLA2G2A (0.68) THRBPLA2G2ATHRANR5A1TSHR
SCHEMBL9016884 0.81 PLA2G2A (0.68) THRBPLA2G2ATHRANR5A1TSHR
SCHEMBL19480454 0.81 TSHR (0.54) THRBPLA2G2ATHRANR5A1TSHR
SCHEMBL14015792 0.81 ESR1 (0.58) THRBPLA2G2ATHRANR5A1TSHR
SCHEMBL7220329 0.81 TSHR (0.54) THRBPLA2G2ATHRANR5A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880829-B Organic photovoltaic material with central structural unit having non-condensed characteristic and preparation method thereof 北京科技大学 2023-06-16 CN disclosed
CN-113880829-A Organic photovoltaic material with central structural unit having non-condensed characteristic and preparation method thereof 北京科技大学 2022-01-04 CN disclosed
US-11186773-B2 Liquid crystal compositions, mixtures, elements, and dimmable devices NITTO DENKO CORPORATION (JP) 2021-11-30 US disclosed
US-20210189240-A1 LIQUID CRYSTAL COMPOSITIONS, MIXTURES, ELEMENTS, AND DIMMABLE DEVICES NITTO DENKO CORPORATION (JP) 2021-06-24 US disclosed
WO-2017180923-A1 LIQUID CRYSTAL COMPOSITIONS, MIXTURES, ELEMENTS, AND DIMMABLE DEVICES NITTO DENKO CORPORATION (JP) 2017-10-19 WO disclosed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed