SCHEMBL12125200

SCHEMBL12125200

CCC(CC(C)C(=O)OC1C2CC3C(=O)OC1C3C2)C(=O)Nc1ccccc1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPT P10636 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GAA P10253 3/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10027981 0.91 KDM4E (0.36) HPGDMAPTKMT2AKDM4EL3MBTL1
SCHEMBL12125202 0.82 P2RX4 (0.31) P2RX4
SCHEMBL133380 0.81 NLRP3 (0.32) —
SCHEMBL11986000 0.81 NLRP3 (0.32) —
SCHEMBL112073 0.77 HMGCR (0.33) TSHRMAPTNPSR1KMT2AKDM4E
SCHEMBL13222983 0.76 — —
SCHEMBL12973908 0.76 NLRP3 (0.37) —
SCHEMBL13759736 0.76 SOAT1 (0.30) —
SCHEMBL13759732 0.74 — —
SCHEMBL10327176 0.74 GRM1 (0.33) —

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-20110281217-A1 NEGATIVE PHOTOSENSITIVE INSULATING RESIN COMPOSITION AND METHOD FOR PATTERNING USING THE SAME NEC CORPORATION (JP) 2011-11-17 — — US disclosed
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