SCHEMBL13865009

SCHEMBL13865009

COC(=O)c1ccccc1C(=O)Oc1c(C)cc(C(C)(c2ccccc2)c2cc(C)c(C)c(C)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CFTR P13569 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ KMT2A Q03164 2/20 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
SCHEMBL13864904 0.87 TSHR (0.46) SLC6A3ESR1ESR2TSHRALDH1A1
SCHEMBL13864965 0.85 TSHR (0.44) SLC6A3ESR1ESR2TSHRALDH1A1
SCHEMBL13865025 0.84 EGFR (0.46) SLC6A3TSHRALDH1A1HSD17B10MAPT
SCHEMBL140650 0.81 TSHR (0.45) SLC6A3ESR1ESR2TSHRALDH1A1
SCHEMBL13865014 0.80 KDM4E (0.44) SLC6A3TSHRLMNAALDH1A1CFTR
SCHEMBL13865008 0.79 SLC6A3 (0.44) SLC6A3ESR1ESR2TSHRLMNA
SCHEMBL13865007 0.77 MAPT (0.56) SLC6A3ALDH1A1HSD17B10MAPTALOX15
SCHEMBL13864905 0.75 TSHR (0.47) SLC6A3TSHRMAPTCA1CA2
SCHEMBL13864978 0.73 CFTR (0.39) LMNAALDH1A1CFTRMAPTKDM4E
SCHEMBL14802304 0.73 ESR1 (0.42) ESR1ESR2TSHRALDH1A1HSD17B10

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-20090123854-A1 IMAGE FORMING METHOD KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-05-14 — — US disclosed
Send feedback