SCHEMBL28584201

SCHEMBL28584201

COC(=O)c1ccc(N2CCN(C(=O)O)CC2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
GFER P55789 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CHRM4 P08173 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A7 Q99884 1/20 0.42
ALOX15 P16050 1/20 0.42
MGLL Q99685 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL28584199 1.00 MAPT (0.51) MAPTGFERLMNAALDH1A1HPGD
SCHEMBL28593831 0.85 GPR119 (0.49) MAPTGFERLMNAALDH1A1HPGD
SCHEMBL28593829 0.85 GPR119 (0.49) MAPTGFERLMNAALDH1A1HPGD
SCHEMBL17746120 0.81 MAPT (0.47) MAPTGFERLMNAMEN1KMT2A
SCHEMBL27152523 0.81 HRH3 (0.47) MAPTGFERLMNACHRM4SMN1; SMN2
SCHEMBL18244948 0.81 ALDH1A1 (0.46) MAPTGFERLMNAALDH1A1HPGD
SCHEMBL6904992 0.81 MAPK1 (0.55) MAPTGFERLMNASMN1; SMN2SLC6A7
SCHEMBL103471 0.80 ALDH1A1 (0.43) MAPTGFERLMNAALDH1A1HPGD
SCHEMBL3596565 0.80 KDM4E (0.57) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL3596569 0.80 KDM4E (0.57) MAPTALDH1A1HPGDKMT2AKDM4E

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
CN-113072521-A ROR gamma t inhibitor and application thereof in medicine 广东东阳光药业有限公司 2021-07-06 CN disclosed