SCHEMBL10832298

SCHEMBL10832298

CO[C@@]1(Cc2ccccc2)O[C@H](CO)[C@@H](O)[C@H](OC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCC(NC(=O)OCc2ccccc2)C(N)=O)C(N)=O)[C@H]1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ AR P10275 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ SIRT2 Q8IXJ6 7/20 0.41
▸ NOD2 Q9HC29 1/20 0.38
▸ APC P25054 3/20 0.37
▸ SIRT1 Q96EB6 5/20 0.37
▸ TPSAB1 Q15661 2/20 0.37
▸ CTSB P07858 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ SIRT3 Q9NTG7 3/20 0.36
▸ CAPN1 P07384 1/20 0.36
▸ CAPN2 P17655 1/20 0.36

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
SCHEMBL10831832 0.87 NOD2 (0.49) ESR1PGRHTR1AADORA3AR
SCHEMBL10831592 0.80 NOD2 (0.42) ESR1PGRHTR1AADORA3AR
SCHEMBL11116037 0.78 ESR1 (0.52) ESR1PGRHTR1AADORA3AR
SCHEMBL10382080 0.75 NOD2 (0.51) ESR1PGRHTR1AADORA3AR
SCHEMBL14410715 0.66 SIRT2 (0.53) SIRT2SIRT1CTSBCTSLSIRT3
SCHEMBL14590398 0.66 SIRT2 (0.53) SIRT2SIRT1CTSBCTSLSIRT3
SCHEMBL11115958 0.66 NOD2 (0.61) ESR1PGRHTR1AADORA3AR
SCHEMBL30340359 0.66 MAPT (0.60) SIRT2CTSL
SCHEMBL10832327 0.65 NOD2 (0.57) ESR1PGRHTR1AADORA3AR
SCHEMBL24147045 0.65 CTSL (0.59) SIRT2SIRT1TPSAB1CTSLSIRT3

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-4574058-A Antigen derivatives and processes for their preparation CIBA-GEIGY CORPORATION (US) 1986-03-04 — — US disclosed
Send feedback