SCHEMBL29105992

SCHEMBL29105992

NC(=O)OC1CCN(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 3/20 0.49
▸ SPHK2 Q9NRA0 3/20 0.49
▸ F10 P00742 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ACACB O00763 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ KCNH2 Q12809 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MCHR1 Q99705 1/20 0.41

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
SCHEMBL29105996 0.86 F10 (0.41) SPHK1SPHK2F10MEN1KMT2A
SCHEMBL28543989 0.83 SLC6A7 (0.50) SPHK1SPHK2F10NPC1RAB9A
SCHEMBL26695651 0.82 SPHK1 (0.42) SPHK1SPHK2F10MEN1KMT2A
SCHEMBL28911545 0.81 DGAT1 (0.49) NPC1RAB9APARP10ALDH1A1LMNA
SCHEMBL28379144 0.80 POLB (0.52) MEN1KMT2AALDH1A1MAPT
SCHEMBL27440977 0.78 KDM4E (0.53) SPHK1SPHK2F10MEN1KMT2A
SCHEMBL186785 0.73 BCHE (0.67) MEN1KMT2ANPC1RAB9A
SCHEMBL27451694 0.73 CKS1B (0.53) F10KMT2AMCHR1
Hydrochloric Acid SCHEMBL22587709 0.72 BCHE (0.65) MEN1KMT2ANPC1RAB9A
SCHEMBL29117227 0.72 NOTUM (0.55) ACACBMAPT

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-117062813-A Polycyclic compound and application thereof 四川汇宇制药股份有限公司 2023-11-14 — — CN disclosed
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