SCHEMBL30368512

SCHEMBL30368512

O=C1CCCC(=O)N1n1c(=O)oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MIF P14174 1/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ LMNA P02545 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
SCHEMBL30317215 0.78 NPC1 (0.45) TSHRMAPK1HPGDALDH1A1NPSR1
SCHEMBL8048066 0.75 ALDH1A1 (0.49) TSHRMAPK1HPGDUSP2ALDH1A1
SCHEMBL31254129 0.71 ASAH1 (0.43) MAPK1ALDH1A1
SCHEMBL31334529 0.70 ASAH1 (0.44) —
SCHEMBL23832563 0.69 ALDH1A1 (0.41) TSHRALDH1A1LMNA
SCHEMBL3864406 0.69 TSHR (0.45) TSHRMAPK1HPGDUSP2ALDH1A1
SCHEMBL9410541 0.69 MAPK1 (0.57) TSHRMAPK1HPGDUSP2ALDH1A1
SCHEMBL3447171 0.69 MAPK1 (0.57) TSHRMAPK1HPGDUSP2ALDH1A1
Hydrochloric Acid SCHEMBL30509213 0.68 ALDH1A1 (0.41) TSHRALDH1A1LMNA
SCHEMBL31437095 0.68 HTR2C (0.36) —

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-115697989-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2023-02-03 — — CN disclosed
Send feedback