SCHEMBL28274271

SCHEMBL28274271

[CH]1CCC1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
DPP4 P27487 1/20 0.42
IDO1 P14902 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL1066978 0.90 PSEN1 (0.41) TSHRCTSLCTSBCTSKOPRM1
SCHEMBL1857531 0.90 PSEN1 (0.41) TSHRCTSLCTSBCTSKOPRM1
SCHEMBL1061761 0.90 PSEN1 (0.41) TSHRCTSLCTSBCTSKOPRM1
SCHEMBL4440940 0.89 PSEN1 (0.40) TSHRCTSLCTSBCTSKOPRM1
SCHEMBL2767536 0.89 PSEN1 (0.40) TSHRCTSLCTSBCTSKOPRM1
SCHEMBL12077141 0.89 PSEN1 (0.40) TSHRCTSLCTSBCTSKOPRM1
SCHEMBL10955709 0.87 CTSL (0.41) TSHRCTSLCTSBCTSKOPRM1
SCHEMBL7668354 0.83 TSHR (0.48) TSHRCTSLCTSBCTSKOPRM1
SCHEMBL11427031 0.79 PSEN1 (0.41) TSHRCTSLCTSBCTSKOPRM1
SCHEMBL11440021 0.77 TSHR (0.46) TSHRCTSLCTSBCTSKOPRM1

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-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed
CN-109311857-A Pyrimidin-2-ylamino-1H-pyrazoles as LRRK2 inhibitors for the treatment of neurodegenerative disorders 戴纳立制药公司 2019-02-05 CN disclosed