SCHEMBL8534649

SCHEMBL8534649

CC1(C)OC(=O)C2(Cc3ccccc3C2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
F2 P00734 2/20 0.48
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PPIB P23284 1/20 0.36
TSHR P16473 1/20 0.36
AVPR1A P37288 1/20 0.35
ALOX12 P18054 1/20 0.35
CES1 P23141 1/20 0.34
MAOA P21397 1/20 0.34
NOTUM Q6P988 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL892475 0.71 TSHR (0.39) ALDH1A1KDM4EGAASMN1; SMN2HTT
SCHEMBL22993923 0.70 KDM4E (0.39) ALDH1A1KDM4EGAASMN1; SMN2HTT
SCHEMBL22003316 0.68 MAOA (0.41) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL9419018 0.67 RXFP1 (0.41) ALDH1A1LMNAPOLBL3MBTL1CES1
SCHEMBL31196088 0.67 KDM4E (0.36) ALDH1A1KDM4EGAASMN1; SMN2HTT
SCHEMBL11577071 0.67 MMP2 (0.50) ALDH1A1SMN1; SMN2HTT
SCHEMBL11660319 0.67 POLB (0.35) ALDH1A1GAALMNAPOLBL3MBTL1
SCHEMBL20975606 0.66 NOTUM (0.34) HTTLMNAMAPTPOLBL3MBTL1
SCHEMBL29223835 0.65 HCAR2 (0.47) ALDH1A1SMN1; SMN2HTT
SCHEMBL8707641 0.65 HTR1A (0.40) TSHR

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
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed