SCHEMBL13836775

SCHEMBL13836775

Cc1cc(C)c(C)c(C(=O)[PH](=O)c2ccccc2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL27947927 0.86 CES2 (0.33) ALDH1A1KMT2AHPGDMEN1CES2
SCHEMBL15552696 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AHSD17B10HPGDMEN1
SCHEMBL82366 0.82 LMNA (0.40) ALDH1A1KMT2AHPGDMEN1KDM4E
SCHEMBL1830537 0.81 L3MBTL1 (0.40) ALDH1A1KMT2AHSD17B10HPGDKDM4E
Ammonia Solution, Strong SCHEMBL2909570 0.81 LMNA (0.39) ALDH1A1KMT2AHPGDMEN1KDM4E
Potassium SCHEMBL29629366 0.81 LMNA (0.39) ALDH1A1KMT2AHPGDMEN1KDM4E
SCHEMBL1024553 0.81 LMNA (0.39) ALDH1A1KMT2AHPGDMEN1KDM4E
SCHEMBL21831853 0.81 LMNA (0.39) ALDH1A1KMT2AHPGDMEN1KDM4E
Lithium SCHEMBL29779115 0.81 LMNA (0.39) ALDH1A1KMT2AHPGDMEN1KDM4E
SCHEMBL28781832 0.81 LMNA (0.39) ALDH1A1KMT2AHPGDMEN1KDM4E

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-20120296005-A1 MEDICAL RESIN COMPOSITION, MANUFACTURING PROCESS THEREFOR AND MEDICAL KIT NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-11-22 US disclosed