SCHEMBL30556329

SCHEMBL30556329

ClCCc1c(OCCCN2CCOCC2)cccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.65
▸ KDM4E B2RXH2 7/20 0.57
▸ POLB P06746 3/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ CYP2D6 P10635 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ LMNA P02545 1/20 0.48

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
SCHEMBL4857927 0.84 USP2 (0.88) USP2KDM4EPOLBL3MBTL1CYP2D6
SCHEMBL30556342 0.84 USP2 (0.59) USP2KDM4EPOLBL3MBTL1CYP2D6
SCHEMBL11663287 0.80 USP2 (0.81) USP2KDM4EPOLBL3MBTL1MEN1
SCHEMBL30556324 0.80 USP2 (0.65) USP2KDM4EPOLBL3MBTL1CYP2D6
SCHEMBL14003353 0.75 USP2 (0.65) USP2KDM4EPOLBL3MBTL1MEN1
SCHEMBL30556330 0.74 CD274 (0.59) USP2KDM4EPOLBL3MBTL1CYP2D6
Hydrochloric Acid SCHEMBL11617183 0.74 USP2 (0.64) USP2KDM4EPOLBL3MBTL1TSHR
SCHEMBL29508076 0.73 ALDH1A1 (0.75) USP2KDM4EL3MBTL1CYP2D6TSHR
SCHEMBL5306673 0.73 ALDH1A1 (0.75) USP2KDM4EL3MBTL1CYP2D6TSHR
SCHEMBL19937782 0.73 SMN1; SMN2 (0.62) USP2KDM4ECYP2D6TSHRALDH1A1

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-114276328-B Compound as small molecule immunosuppressant, preparation method and application thereof 北京康辰药业股份有限公司 2023-09-01 — — CN disclosed
Send feedback