SCHEMBL22071700

SCHEMBL22071700

COC(=O)c1nc2cc(C)c(C)cc2n(C[C@H](O)[C@H](O)[C@H](O)COCCN(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ TST Q16762 2/20 0.44
▸ HSPD1 P10809 1/20 0.44
▸ HSPE1 P61604 1/20 0.44
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ USP2 O75604 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HTT P42858 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ HAT1 O14929 3/20 0.42
▸ RBBP7 Q16576 3/20 0.42
▸ CASP1 P29466 2/20 0.42

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
SCHEMBL22071701 0.90 USP2 (0.44) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071722 0.88 KDM4E (0.45) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071681 0.83 USP2 (0.56) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071673 0.83 USP2 (0.56) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071725 0.83 MEN1 (0.52) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071726 0.83 USP2 (0.45) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071699 0.81 MEN1 (0.48) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22072072 0.79 MEN1 (0.46) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071697 0.77 MEN1 (0.42) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL22071721 0.76 KDM4E (0.47) ESR1NR3C1ADRB2HTR2CADRA1A

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
WO-2020117974-A1 COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS AVEDRO, INC. (US) 2020-06-11 — — WO disclosed
Send feedback