SCHEMBL8527899

SCHEMBL8527899

COc1nccc(C2OCCO2)c1CO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX7 Q99572 1/20 0.33
KDM1A O60341 3/20 0.30
MAOB P27338 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
SCHEMBL5648992 0.71 NOS2 (0.40)
SCHEMBL31150941 0.71 NOS2 (0.40)
SCHEMBL21437197 0.71 SMN1; SMN2 (0.38) NPC1RAB9A
SCHEMBL4402294 0.69 AURKA (0.33)
SCHEMBL25650131 0.69 STING1 (0.34)
SCHEMBL31437498 0.69 AURKA (0.33)
SCHEMBL768723 0.68 NPC1 (0.35) NPC1RAB9A
SCHEMBL5860931 0.68 MTNR1A (0.30)
SCHEMBL23726539 0.67 NPC1 (0.43) NPC1RAB9A
SCHEMBL2798777 0.66 TXNRD1 (0.31)

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
EP-0946566-A1 PRO-DRUGS AND COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-10-06 EP disclosed
WO-1998028304-A1 PRO-DRUGS AND COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-07-02 WO disclosed