SCHEMBL9440385

SCHEMBL9440385

CCOP(=O)(Cc1ccc(-c2nc3ccc(C)cc3c(=O)o2)cc1)OCC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ ELANE P08246 3/20 0.46
▸ TP53 P04637 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ C1R P00736 1/20 0.46
▸ HPN P05981 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPY5R Q15761 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
SCHEMBL8079370 0.82 UTRN (0.47) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL2333007 0.81 RAB9A (0.69) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL11338188 0.78 MAPT (0.51) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL14370229 0.77 TP53 (0.53) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL913895 0.76 NPC1 (0.70) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL914149 0.75 RAB9A (0.61) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL11381710 0.75 UTRN (0.52) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL11336027 0.75 NPC1 (0.56) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL6567424 0.74 ELANE (0.62) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL6563910 0.74 HPN (0.56) NPC1RAB9AALDH1A1KDM4EMEN1

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
JP-6009670-A — — None — — JP disclosed
JP-H069670-A PHOSPHONIC ACID DIESTER DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 1994-01-18 — — JP disclosed
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