SCHEMBL10871986

SCHEMBL10871986

CC(C)CC(=O)c1[c]cccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC25A5 P05141 1/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
MIF P14174 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
GRM2 Q14416 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
SCHEMBL989057 0.79 SMN1; SMN2 (0.42) ALDH1A1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7666645 0.76 TDP1 (0.33) ALDH1A1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL11257239 0.76 CES1 (0.33) ALDH1A1HPGDKMT2ASMN1; SMN2TSHR
SCHEMBL2332592 0.76 HPGD (0.46) ALDH1A1HPGDLMNASMN1; SMN2TSHR
SCHEMBL1714625 0.76 PAM (0.32) HPGDKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL8382976 0.75 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2GAATSHR
SCHEMBL7516064 0.75 ALDH1A1 (0.48) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL689065 0.75 FFAR1 (0.36) FFAR1ALDH1A1KMT2AMIFGAA
SCHEMBL696680 0.75 GSK3B (0.48) HPGDKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL6952030 0.74 ALDH1A1 (0.59) ALDH1A1HPGDKMT2ALMNASMN1; SMN2

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
CN-1070863-C Phosphonic diester derivatives OTSUKA PHARMA CO LTD (JP) 2001-09-12 CN disclosed
CN-1206419-A Phosphonic acid diester derivatives OTSUKA PHARMA CO LTD (JP) 1999-01-27 CN disclosed
EP-0192167-A1 Use of thio-substitued ketones as photoinitiators MERCK PATENT GmbH (DE) 1986-08-27 EP disclosed