SCHEMBL14582017

SCHEMBL14582017

CCCCc1ccc(C(=O)c2ccc(O)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.56
SLC2A1 P11166 1/20 0.56
P2RX4 Q99571 1/20 0.56
P2RX7 Q99572 1/20 0.56
TMPRSS4 Q9NRS4 1/20 0.56
HDAC3 O15379 1/20 0.53
EGFR P00533 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
RXFP1 Q9HBX9 8/20 0.52
TRPV1 Q8NER1 1/20 0.48
PLK1 P53350 1/20 0.48

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
SCHEMBL29781391 1.00 P2RX1 (0.56) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL10607741 0.90 P2RX1 (0.63) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL23419298 0.84 P2RX1 (0.69) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL574259 0.82 HDAC3 (0.63) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL30288530 0.82 HDAC3 (0.63) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL29372818 0.82 HDAC3 (0.63) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL23419292 0.82 RXFP1 (0.66) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL14582007 0.81 P2RX1 (0.65) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL10347262 0.77 P2RX1 (0.56) P2RX1SLC2A1P2RX4P2RX7TMPRSS4
SCHEMBL14582016 0.76 RXFP1 (0.66) P2RX1SLC2A1P2RX4P2RX7TMPRSS4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114727975-A Antiandrogen receptor/AKR 1C3 inhibitors 加利福尼亚大学董事会 2022-07-08 CN disclosed
EP-1328507-B1 NAPHTHYLSALICYLANILIDES AS ANTIMICROBIAL AND ANTIINFLAMMATORY AGENTS UNIV NEW YORK STATE RES FOUND (US) 2007-03-14 EP disclosed