SCHEMBL28194605

SCHEMBL28194605

CCC(Oc1ccc(C)cc1)C(=O)NCc1nccs1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TRPM8 Q7Z2W7 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ GPR88 Q9GZN0 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.40

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
SCHEMBL28194650 0.79 HPGD (0.59) POLBTRPM8ALDH1A1MAPTHPGD
SCHEMBL28854530 0.78 TRPM8 (0.47) POLBMEN1KMT2ATRPM8ALDH1A1
SCHEMBL13102338 0.73 SMN1; SMN2 (0.62) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL19736115 0.72 ADORA2A (0.46) KDM4EALDH1A1GPR88LMNAPKM
SCHEMBL2656142 0.72 MEN1 (0.57) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL14223786 0.71 LMNA (0.61) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL18939315 0.71 GAA (0.61) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL6183808 0.70 HCRTR2 (0.42) POLBMEN1KMT2ATRPM8KDM4E
SCHEMBL28254369 0.70 HPGD (0.57) POLBTRPM8ALDH1A1MAPTHPGD
SCHEMBL27512257 0.69 AR (0.55) POLBMEN1KMT2AALDH1A1MAPT

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
CN-108853105-A Cosmetic composition, composite medicine and food compositions 西姆莱斯股份公司 2018-11-23 — — CN disclosed
CN-105025870-B Composition comprising a metal oxide and a metal oxide 西姆莱斯股份公司 2018-02-02 — — CN disclosed
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