SCHEMBL20049255

SCHEMBL20049255

COc1cc(C(C)C)cc2ncc(C(C)C)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.36
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
CRHR1 P34998 1/20 0.33
PDGFRB P09619 3/20 0.33
PDGFRA P16234 3/20 0.33
NQO2 P16083 2/20 0.33
P2RX3 P56373 3/20 0.32
P2RX2 Q9UBL9 3/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC10A2 Q12908 1/20 0.32

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
SCHEMBL20049056 0.84 PDGFRB (0.37) CSF1RCRHR1PDGFRBPDGFRANQO2
SCHEMBL20049120 0.83 EGFR (0.33) EGFRERBB2CRHR1PDGFRBPDGFRA
SCHEMBL20049118 0.82 ALPL (0.33) TSHR
SCHEMBL20049258 0.78 AKR1C3 (0.31)
SCHEMBL24345366 0.77 MEN1 (0.39) CRHR1PDGFRBPDGFRAALDH1A1SMN1; SMN2
SCHEMBL20049123 0.74 CYP3A4 (0.33) TSHR
SCHEMBL20049330 0.70 P2RX3 (0.44) PDGFRBPDGFRAP2RX3P2RX2ALDH1A1
SCHEMBL23717026 0.70 EGFR (0.38) EGFRCRHR1P2RX3P2RX2ALDH1A1
SCHEMBL20047652 0.70 ALPL (0.31) PDGFRBPDGFRA
SCHEMBL23905240 0.69 P2RX3 (0.38) CRHR1P2RX3P2RX2

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-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed