SCHEMBL9856115

SCHEMBL9856115

CC[C@@H](C)Oc1ccc(OCC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
TSHR P16473 1/20 0.66
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 4/20 0.51
MAPK1 P28482 1/20 0.51
NR4A1 P22736 1/20 0.49
APEX1 P27695 1/20 0.49
FFAR1 O14842 1/20 0.49
MEN1 O00255 1/20 0.47
PTPN7 P35236 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTGDR Q13258 1/20 0.47
ACACB O00763 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL9856122 1.00 ALDH1A1 (0.66) ALDH1A1TSHRALOX15SMN1; SMN2MAPT
SCHEMBL10793584 0.86 ACACB (0.50) ALDH1A1TSHRMAPTKMT2AACACB
SCHEMBL10789195 0.85 ALDH1A1 (0.47) ALDH1A1TSHRMAPTKMT2AACACB
SCHEMBL9856571 0.83 ALDH1A1 (0.50) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL10794885 0.82 ALDH1A1 (0.45) ALDH1A1TSHRMAPTKMT2APTGDR
SCHEMBL10394582 0.82 KMT2A (0.50) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL10804237 0.82 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKMT2AACACB
SCHEMBL10804244 0.82 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKMT2AACACB
SCHEMBL10805829 0.82 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKMT2AACACB
SCHEMBL5279314 0.79 ALDH1A1 (1.00) ALDH1A1TSHRALOX15SMN1; SMN2MAPT

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