SCHEMBL8329844

SCHEMBL8329844

CCOC(=O)C(C)(C(=O)SCC)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM4 P08173 3/20 0.34
CHRM3 P20309 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
FKBP1A P62942 2/20 0.32
EPHX1 P07099 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
SCHEMBL16732122 0.85 ALDH1A1 (0.41) THRBATML3MBTL1ALDH1A1KDM4E
SCHEMBL10028034 0.84 ALDH1A1 (0.39) THRBATML3MBTL1ALDH1A1KDM4E
SCHEMBL15973183 0.81 ALDH1A1 (0.38) THRBATML3MBTL1ALDH1A1KDM4E
SCHEMBL10486329 0.80 CYP4F2 (0.38) THRBATML3MBTL1ALDH1A1KDM4E
SCHEMBL15973848 0.79 PKM (0.36) THRBATML3MBTL1ALDH1A1KDM4E
SCHEMBL9219742 0.76 CYP4F2 (0.40) THRBALDH1A1KDM4EMEN1KMT2A
SCHEMBL28817661 0.76 CHRM2 (0.43) ATMALDH1A1CHRM2CHRM1CHRM4
SCHEMBL19071938 0.75 ALDH1A1 (0.41) THRBATML3MBTL1ALDH1A1CHRM2
SCHEMBL7783891 0.73 ALDH1A1 (0.42) THRBATML3MBTL1ALDH1A1POLB
SCHEMBL8843167 0.72 CHRM2 (0.40) THRBATML3MBTL1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed