SCHEMBL6865023

SCHEMBL6865023

C=C(CC12CC3CC(C1)C(C(=O)O)C(C3)C2)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
BPTF Q12830 1/20 0.36
P2RX7 Q99572 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM5 P41594 4/20 0.33
GRM2 Q14416 4/20 0.33
GRM6 O15303 2/20 0.33
GRM1 Q13255 2/20 0.33
GRM4 Q14833 2/20 0.33
GRM3 Q14832 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5354981 0.85 ALDH1A1 (0.39) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4
SCHEMBL704030 0.84 ALDH1A1 (0.50) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4
SCHEMBL3680659 0.74 GAA (0.53) ALDH1A1MEN1KMT2A
SCHEMBL19808649 0.72 HSD11B1 (0.36) ALDH1A1P2RX7SMN1; SMN2GRM5GRM2
SCHEMBL418818 0.70 KDM4E (0.35) ALDH1A1BPTFP2RX7SMN1; SMN2
SCHEMBL1089102 0.70 ALDH1A1 (0.33) ALDH1A1BPTFP2RX7SMN1; SMN2
SCHEMBL7965513 0.70 GRM2 (0.40) CYP2C19GRM5GRM2GRM6GRM1
SCHEMBL1089318 0.69 POLB (0.46) ALDH1A1MEN1KMT2A
SCHEMBL2409327 0.68 EPHX2 (0.44) ALDH1A1BPTFNPSR1GRM2GRM3
SCHEMBL38655452 0.68 ALDH1A1 (0.50) ALDH1A1BPTFP2RX7SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058279-A1 Pattern formation material, pattern formation method, and exposure mask fabrication method KABUSHIKI KAISHA TOSHIBA 2004-03-25 US disclosed
US-6660455-B2 Alkali-soluble resin, photoacid generator, and dissolution inhibiting groups, increasing the sensitivity of the pattern formation material KABUSHIKI KAISHA TOSHIBA (JP) 2003-12-09 US disclosed
US-20010026895-A1 Pattern formation material, pattern formation method, and exposure mask fabrication method KABUSHIKI KAISHA TOSHIBA 2001-10-04 US disclosed