SCHEMBL29053334

SCHEMBL29053334

CC(C)(C)c1ccc(OCC2(O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.45
▸ APP P05067 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ AOC3 Q16853 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY4R P50391 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 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
SCHEMBL20898164 0.76 DRD1 (0.40) APPMAOBRXRARXRBPOLB
SCHEMBL28914522 0.75 ALDH1A1 (0.45) LMNA
SCHEMBL13165329 0.75 KDM4E (0.49) SMN1; SMN2KDM4EAPPHRH3RAB9A
SCHEMBL13165304 0.75 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EAPPHRH3MAOB
SCHEMBL1245425 0.74 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EAPPHRH3MAOB
SCHEMBL15079849 0.73 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EAPPMAOBAOC3
SCHEMBL1271546 0.72 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EAPPHRH3MAOB
SCHEMBL26806414 0.72 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EAPPHRH3MAOB
SCHEMBL1714921 0.72 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EAPPHRH3MAOB
SCHEMBL24637492 0.72 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EAPPHRH3MAOB

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-109776510-B N-substituted imidazole formate derivative and application thereof 成都麻沸散医药科技有限公司 2023-08-18 — — CN disclosed
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