SCHEMBL10978467

SCHEMBL10978467

CC1(C)OC(COCc2ccccc2)[C@@H](COCc2ccccc2)O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TAAR1 Q96RJ0 1/20 0.45
LMNA P02545 1/20 0.42
HTR1A P08908 1/20 0.40
ALDH1A1 P00352 3/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTT P42858 1/20 0.38
TACR1 P25103 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL10978460 1.00 TSHR (0.48) TSHRTAAR1LMNAHTR1AALDH1A1
SCHEMBL15892812 0.98 TSHR (0.47) TSHRTAAR1LMNAHTR1AALDH1A1
SCHEMBL15892809 0.98 TSHR (0.47) TSHRTAAR1LMNAHTR1AALDH1A1
SCHEMBL15892796 0.94 TSHR (0.42) TSHRTAAR1LMNAHTR1AALDH1A1
SCHEMBL15892795 0.94 TSHR (0.42) TSHRTAAR1LMNAHTR1AALDH1A1
SCHEMBL14655081 0.92 SLC6A2 (0.44) TSHRTAAR1LMNAHTR1AALDH1A1
SCHEMBL291876 0.92 SLC6A2 (0.44) TSHRTAAR1LMNAHTR1AALDH1A1
SCHEMBL10755388 0.92 SLC6A2 (0.44) TSHRTAAR1LMNAHTR1AALDH1A1
SCHEMBL292471 0.92 TSHR (0.41) TSHRTAAR1LMNAHTR1AALDH1A1
SCHEMBL27755429 0.92 TSHR (0.41) TSHRTAAR1LMNAHTR1AALDH1A1

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
US-4496579-A AMINATION WITH AMMONIA OR PRIMARY AMINE; ANTIDEPRESANT GLAXO GROUP LIMITED (GB) 1985-01-29 US disclosed