SCHEMBL9220908

SCHEMBL9220908

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
CYP3A4 P08684 1/20 0.59
MDH1 P40925 12/20 0.58
MDH2 P40926 12/20 0.58
SHBG P04278 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 2/20 0.44

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
SCHEMBL23268748 0.85 SMN1; SMN2 (0.61) SMN1; SMN2CYP3A4MDH1MDH2SHBG
SCHEMBL6699973 0.85 SMN1; SMN2 (0.70) SMN1; SMN2CYP3A4MDH1MDH2SHBG
SCHEMBL8017456 0.85 SMN1; SMN2 (0.51) SMN1; SMN2
SCHEMBL9219224 0.84 SMN1; SMN2 (0.59) SMN1; SMN2CYP3A4MDH1MDH2SHBG
SCHEMBL9219214 0.84 SMN1; SMN2 (0.59) SMN1; SMN2CYP3A4MDH1MDH2SHBG
SCHEMBL628857 0.83 SMN1; SMN2 (0.71) SMN1; SMN2CYP3A4MEN1KMT2AHIF1A
SCHEMBL6584468 0.83 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EMEN1KMT2AHIF1A
Formaldehyde SCHEMBL28598675 0.83 SMN1; SMN2 (0.66) SMN1; SMN2CYP3A4MDH1MDH2SHBG
SCHEMBL9457427 0.80 CYP3A4 (0.54) SMN1; SMN2CYP3A4MDH1MDH2SHBG
SCHEMBL28598670 0.79 SMN1; SMN2 (0.54) SMN1; SMN2CYP3A4MDH1MDH2SHBG

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-5429918-A Antifading agent FUJI PHOTO FILM CO., LTD. (JP) 1995-07-04 US disclosed
US-4914013-A MAGENTA COUPLER HAVING SPECIFIC BALLAST GROUP KONICA CORPORATION (JP) 1990-04-03 US disclosed
EP-0334654-A2 Silver halide light-sensitive color photographic material KONICA CORPORATION (JP) 1989-09-27 EP disclosed