SCHEMBL17736497

SCHEMBL17736497

CC(C)c1cc(C(C)C)c(S(=O)(=O)O/N=C(\C(=O)C(C)(C)C)c2nc3ccccc3o2)c(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 10/20 0.37
▸ HSF1 Q00613 4/20 0.37
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NLRP3 Q96P20 2/20 0.35
▸ TLR4 O00206 1/20 0.35
▸ FAAH O00519 1/20 0.34

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
SCHEMBL17736509 0.92 XDH (0.37) XDHHSF1ENPP3ENPP1PIK3CD
SCHEMBL17736501 0.91 ENPP3 (0.39) ENPP3ENPP1PIK3CDPIK3CAPIK3CB
SCHEMBL17736511 0.90 LIPG (0.34) XDHENPP3ENPP1PIK3CDPIK3CA
SCHEMBL17736510 0.88 ENPP3 (0.32) ENPP3ENPP1
SCHEMBL17736487 0.86 ENPP3 (0.38) ENPP3ENPP1PIK3CDPIK3CAPIK3CB
SCHEMBL17736515 0.83 HDAC4 (0.31) NPC1
SCHEMBL17736488 0.80 TSHR (0.44) ENPP3ENPP1SOAT1NPC1RAB9A
SCHEMBL16381780 0.79 XDH (0.50) XDHHSF1NPC1TNFRAB9A
SCHEMBL17736498 0.77 FAAH (0.39) XDHHSF1NPC1TNFRAB9A
SCHEMBL17736486 0.74 ENPP3 (0.38) ENPP3ENPP1

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
US-20160131976-A1 RESIST COMPOSITION FOR SEMICONDUCTOR MANUFACTURING PROCESS; RESIST FILM, RESIST-COATED MASK BLANKS, PHOTOMASK, AND RESIST PATTERNING METHOD USING SAID RESIST COMPOSITION; ELECTRONIC-DEVICE MANUFACTURING METHOD; AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-05-12 — — US disclosed
US-20160131976-A1 RESIST COMPOSITION FOR SEMICONDUCTOR MANUFACTURING PROCESS; RESIST FILM, RESIST-COATED MASK BLANKS, PHOTOMASK, AND RESIST PATTERNING METHOD USING SAID RESIST COMPOSITION; ELECTRONIC-DEVICE MANUFACTURING METHOD; AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-05-12 — — US disclosed
Send feedback