SCHEMBL9838672

SCHEMBL9838672

Cl[C@@H](COCc1ccccc1)CN1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
LTA4H P09960 3/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.48
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TACR1 P25103 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 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
SCHEMBL9869891 1.00 TSHR (0.51) TSHRLTA4HRAB9AHSD17B10LMNA
SCHEMBL9838876 0.81 TSHR (0.74) TSHRRAB9AHSD17B10LMNAPRMT5
SCHEMBL9839972 0.81 TSHR (0.74) TSHRRAB9AHSD17B10LMNAPRMT5
SCHEMBL9838885 0.81 TSHR (0.74) TSHRRAB9AHSD17B10LMNAPRMT5
SCHEMBL9869970 0.79 PRMT5 (0.51) TSHRLTA4HRAB9AHSD17B10PRMT5
SCHEMBL7271333 0.78 KDM4E (0.67) TSHRLTA4HRAB9AHSD17B10MAPK1
SCHEMBL8717637 0.77 TSHR (0.47) TSHRLTA4HRAB9AHSD17B10LMNA
SCHEMBL11538263 0.76 TSHR (0.68) TSHRRAB9AHSD17B10LMNAMAPK1
SCHEMBL15176767 0.76 TSHR (0.57) TSHRLMNAHTTSMN1; SMN2MEN1
SCHEMBL4663018 0.74 LTA4H (0.60) TSHRLTA4HRAB9AHSD17B10LMNA

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
WO-1991002732-A1 NOVEL OPTICALLY ACTIVE BASIC ETHERS, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-03-07 WO disclosed