SCHEMBL30577314

SCHEMBL30577314

CCCCCCCCc1ccc(-c2ccc(CCOC)cc2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.47
HSD11B1 P28845 2/20 0.47
GPR3 P46089 1/20 0.46
PSMB5 P28074 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KCNH2 Q12809 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SOAT1 P35610 1/20 0.40

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
SCHEMBL29086498 1.00 RARB (0.47) RARBHSD11B1GPR3PSMB5MEN1
SCHEMBL29086496 1.00 RARB (0.47) RARBHSD11B1GPR3PSMB5MEN1
SCHEMBL29086662 0.84 CASP3 (0.50) RARBHSD11B1GPR3PSMB5MEN1
SCHEMBL29086567 0.84 HTR2A (0.53) RARBHSD11B1GPR3PSMB5MEN1
SCHEMBL30577320 0.84 HTR2A (0.53) RARBHSD11B1GPR3PSMB5MEN1
SCHEMBL29086565 0.84 HTR2A (0.53) RARBHSD11B1GPR3PSMB5MEN1
SCHEMBL36417 0.83 RARB (0.54) RARBHSD11B1GPR3PSMB5MEN1
SCHEMBL29086650 0.82 PSMB5 (0.51) RARBHSD11B1GPR3PSMB5MEN1
SCHEMBL11325207 0.81 PSMB5 (0.61) RARBHSD11B1GPR3PSMB5ALDH1A1
SCHEMBL5599432 0.81 HSD11B1 (0.61) RARBHSD11B1GPR3MEN1ALDH1A1

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
CN-116875324-A Liquid crystal composition, liquid crystal transfer film and preparation method of liquid crystal transfer film 上海先认新材料合伙企业(有限合伙) 2023-10-13 CN disclosed