SCHEMBL23660855

SCHEMBL23660855

O=Cc1cc(F)c2c(c1C(=O)O)OCO2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.37
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ NOTUM Q6P988 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10617236 0.78 LMNA (0.49) ERN1LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL28965446 0.78 USP2 (0.41) LMNAALDH1A1MAPK1NPC1TP53
SCHEMBL10913534 0.77 LMNA (0.37) ERN1LMNAHPGDALDH1A1
SCHEMBL232141 0.75 ALDH1A1 (0.43) ERN1LMNAHPGDALDH1A1MAPK1
SCHEMBL23660857 0.74 LMNA (0.35) ERN1LMNAHPGDALDH1A1
SCHEMBL4493633 0.69 ALDH1A1 (0.44) LMNADHODHALDH1A1MAPK1HTT
SCHEMBL23660877 0.68 SMN1; SMN2 (0.40) HPGDDHODHALDH1A1MAPK1NOTUM
SCHEMBL25184025 0.67 ERN1 (0.44) ERN1LMNAALDH1A1NPC1RAB9A
SCHEMBL20803783 0.67 POLB (0.40) ERN1DHODHALDH1A1HTT
SCHEMBL24861066 0.66 ERN1 (0.57) ERN1LMNA

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-115611909-A Tetrahydronaphthalene compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-01-17 — — CN disclosed
WO-2021143822-A1 BICYCLIC IMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2021-07-22 — — WO disclosed
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