SCHEMBL9856571

SCHEMBL9856571

CCC(C)Oc1ccc(OCC(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
PTGS2 P35354 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PPARD Q03181 2/20 0.49
ACACB O00763 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL9856115 0.83 ALDH1A1 (0.66) ALDH1A1ACACBMEN1KMT2AL3MBTL1
SCHEMBL9856122 0.83 ALDH1A1 (0.66) ALDH1A1ACACBMEN1KMT2AL3MBTL1
SCHEMBL10793584 0.83 ACACB (0.50) ALDH1A1ACACBKMT2APOLBL3MBTL1
SCHEMBL10394582 0.83 KMT2A (0.50) ALDH1A1ACACBMEN1KMT2AL3MBTL1
SCHEMBL2116437 0.82 PTGS2 (0.66) ALDH1A1PTGS2CYP2C9CYP2C19PPARD
SCHEMBL10789195 0.82 ALDH1A1 (0.47) ALDH1A1ACACBKMT2AL3MBTL1TSHR
SCHEMBL809993 0.81 PTGS2 (0.50) ALDH1A1PTGS2CYP2C9CYP2C19MEN1
SCHEMBL14177768 0.81 ALDH1A1 (0.71) ALDH1A1PTGS2CYP2C9CYP2C19PPARD
SCHEMBL10799320 0.80 ACACB (0.45) ALDH1A1ACACBKMT2APOLBL3MBTL1
SCHEMBL10799312 0.80 ACACB (0.45) ALDH1A1ACACBKMT2APOLBL3MBTL1

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed