SCHEMBL8330847

SCHEMBL8330847

CCC(C1CCCCC1)C(C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.61
EPHX1 P07099 3/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.34
EPHX2 P34913 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 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
SCHEMBL16732011 0.98 SHBG (0.58) SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL8784689 0.91 SHBG (0.55) SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL11226733 0.86 SHBG (0.50) SHBGALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL11070281 0.86 SHBG (0.50) SHBGALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL10646074 0.82 SHBG (0.59) SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL1227604 0.82 SHBG (0.59) SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL8330418 0.81 SHBG (0.44) SHBGEPHX1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16732219 0.81 SHBG (0.42) SHBGEPHX1ALDH1A1CYP2C9CYP2C19
SCHEMBL288891 0.81 SHBG (0.57) SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL28758251 0.81 SHBG (0.57) SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9

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