SCHEMBL24445835

SCHEMBL24445835

CC(=O)c1cccc(O)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
PDK2 Q15119 2/20 0.44
P2RX1 P51575 4/20 0.43
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 1/20 0.41
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
GAA P10253 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL16950368 0.84 NPC1 (0.38) THRBPDK2P2RX1P2RX4P2RX7
SCHEMBL1163351 0.82 ALDH1A1 (0.54) P2RX1MAPTNPC1CRHBPRAB9A
SCHEMBL2001643 0.81 LMNA (0.46) PDK2MAOAMAOBGAALMNA
SCHEMBL696461 0.81 P2RX1 (0.44) PDK2P2RX1L3MBTL1PDK1PDK3
SCHEMBL29887291 0.80 LMNA (0.59) PDK2P2RX1MAPTGAAPDK1
SCHEMBL14911017 0.80 LMNA (0.59) PDK2P2RX1MAPTGAAPDK1
SCHEMBL7784256 0.79 P2RX1 (0.43) PDK2P2RX1P2RX4P2RX7PDK1
SCHEMBL14882748 0.77 PIK3CA (0.42) THRBP2RX1MAPTHTTL3MBTL1
SCHEMBL2891340 0.77 ALDH1A1 (0.41) THRBPDK2P2RX1MAPTHTT
SCHEMBL7787354 0.77 SMN1; SMN2 (0.47) MAPTHTTL3MBTL1MAOBNPC1

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
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed