SCHEMBL8993551

SCHEMBL8993551

O=C(O)[C@H]1OC1(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
HSD11B1 P28845 2/20 0.37
AKR1C1 Q04828 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
FDFT1 P37268 1/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HDAC4 P56524 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNN4 O15554 1/20 0.33
F2 P00734 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6729826 1.00 CRHBP (0.61) CRHBPCRHR2HSD11B1AKR1C1LMNA
SCHEMBL19877927 0.83 CRHBP (0.44) CRHBPCRHR2AKR1C1LMNAHTT
SCHEMBL570250 0.79 HTT (0.50) CRHBPCRHR2LMNAHTTPOLB
SCHEMBL14968010 0.77 ALDH1A1 (0.42) CRHBPCRHR2HTTPOLBALDH1A1
SCHEMBL18316474 0.75 CRHBP (0.44) CRHBPCRHR2HSD11B1AKR1C1HTT
SCHEMBL31354802 0.75 CRHBP (0.44) CRHBPCRHR2HSD11B1AKR1C1HTT
SCHEMBL2234611 0.75 CRHBP (0.44) CRHBPCRHR2HSD11B1AKR1C1HTT
SCHEMBL14967867 0.75 CRHBP (0.38) CRHBPCRHR2HTTALDH1A1
SCHEMBL14968071 0.75 TSHR (0.40) CRHBPCRHR2LMNAHTTALDH1A1
SCHEMBL14968000 0.75 TSHR (0.50) HTTALDH1A1MEN1KMT2ACYP1A2

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-5574169-A CHOLECYSTOKININ ANTAGONIST ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed