SCHEMBL8331827

SCHEMBL8331827

CCOC(=O)C(C)(C(=O)S)C1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.35
RECQL P46063 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1046841 0.80 TSHR (0.41) TSHRMAPTRECQLALDH1A1PPM1B
SCHEMBL3942273 0.79 TSHR (0.40) TSHRMAPTRECQLALDH1A1PPM1B
SCHEMBL3942274 0.79 TSHR (0.40) TSHRMAPTRECQLALDH1A1PPM1B
SCHEMBL9219742 0.77 CYP4F2 (0.40) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL10486329 0.74 CYP4F2 (0.38) TSHRALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL10028034 0.74 ALDH1A1 (0.39) ALDH1A1PPM1BPTPN1PPP1CCKMT2A
SCHEMBL16370032 0.74 TSHR (0.35) TSHRMAPTRECQLALDH1A1PPM1B
SCHEMBL8331833 0.74 TSHR (0.36) TSHRMAPTRECQLALDH1A1PPM1B
SCHEMBL16732122 0.73 ALDH1A1 (0.41) MAPTALDH1A1POLBCYP4F2CYP4A11
SCHEMBL4418141 0.73 ALDH1A1 (0.38) TSHRMAPTALDH1A1PPM1BPTPN1

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