SCHEMBL16440293

SCHEMBL16440293

COc1ccc(C2CCC3(CC2)C2C(C)C23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
KDM1A O60341 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.38
HTR2C P28335 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL16440295 0.79 ESR2 (0.61) ESR2
SCHEMBL5211872 0.79 DRD2 (0.50) DRD2KDM1AMAOAMAOBDDB1
SCHEMBL1515026 0.78 DRD2 (0.59) DRD2KDM1AMAOAMAOBALDH1A1
SCHEMBL21964256 0.77 DRD2 (0.49) DRD2KDM1AMAOAMAOBDDB1
SCHEMBL10599941 0.75 DDB1 (0.46) DRD2KDM1AMAOAMAOBDDB1
SCHEMBL803244 0.74 ESR2 (0.59) DRD2KDM1AMAOAMAOBALDH1A1
SCHEMBL1515040 0.74 DRD2 (0.56) DRD2KDM1AMAOAMAOBALDH1A1
SCHEMBL2095118 0.74 ALDH1A1 (0.56) DRD2KDM1AMAOAMAOBALDH1A1
SCHEMBL1506576 0.73 POLB (0.48) DRD2KDM1AMAOAMAOBDDB1
SCHEMBL1992931 0.72 ALDH1A1 (0.59) DRD2KDM1AMAOAMAOBALDH1A1

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-9475989-B2 Binaphthyl compound, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-10-25 US disclosed
US-20150034869-A1 BINAPHTHYL COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-02-05 US disclosed