Sugi Predict

Sugi Predict / Compounds / SCHEMBL28599987

SCHEMBL28599987

SCHEMBL28599987

COCOc1ccc(I)cc1C1OCC(C)(C)CO1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SOAT1 P35610 1/20 0.32
▸ DRD4 P21917 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
SCHEMBL28595423 0.85 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9ASOAT1DRD4
SCHEMBL10144993 0.74 NPC1 (0.43) SMN1; SMN2NPC1RAB9A
SCHEMBL19923130 0.73 NPC1 (0.42) SMN1; SMN2NPC1RAB9A
SCHEMBL10106364 0.71 NPC1 (0.49) SMN1; SMN2NPC1RAB9A
SCHEMBL7053663 0.69 NPC1 (0.39) NPC1RAB9ADRD4
SCHEMBL641310 0.69 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ASOAT1
SCHEMBL10330558 0.69 RAB9A (0.46) SMN1; SMN2NPC1RAB9A
SCHEMBL16978298 0.67 APP (0.43) DRD4
SCHEMBL767623 0.67 LARS1 (0.33) SMN1; SMN2NPC1RAB9A
SCHEMBL23143212 0.66 L3MBTL1 (0.39) SMN1; SMN2NPC1RAB9A

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-113105360-A Multi-modal probe FN and preparation method and application thereof 暨南大学附属第一医院（广州华侨医院） 2021-07-13 — — CN claimed
CN-113105360-A Multi-modal probe FN and preparation method and application thereof 暨南大学附属第一医院（广州华侨医院） 2021-07-13 — — CN disclosed