SCHEMBL10934105

SCHEMBL10934105

CC1(C)C(O)[C@@H](O)[C@@]1(O)[C@H](O)[C@H](C=O)NC(=O)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL13054604 0.78 SMN1; SMN2 (0.50) CTSBHDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL13054596 0.78 SMN1; SMN2 (0.50) CTSBHDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL7300117 0.76 HDAC2 (0.51) CTSBHDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL16360050 0.73 SMN1; SMN2 (0.55) CTSBHDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL19791859 0.70 HDAC2 (0.54) CTSBHDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL7772333 0.67 ALDH1A1 (0.66) HDAC2HDAC8HDAC6SMN1; SMN2CNR2
SCHEMBL13054598 0.67 CTSB (0.53) CTSBHDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL21549032 0.67 CTSB (0.53) CTSBHDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL8357482 0.67 CTSB (0.67) CTSBHDAC2HDAC8HDAC6HDAC1
SCHEMBL24114487 0.66 SMN1; SMN2 (0.58) HDAC2HDAC8HDAC6SMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027258-B1 PHOSPHORYL MURAMYL PEPTIDES, METHOD FOR THEIR PREPARATION AND THEIR USE IN MEDICINES CIBA-GEIGY AG (CH) 1985-05-15 — — EP disclosed
US-4409209-A POTENTIATION OF ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1983-10-11 — — US disclosed
US-4323560-A IMMUNOPOTENTIATING ACTION TO INCREASE ANTIBIOTIC EFFECTIVENESS CIBA-GEIGY CORPORATION (US) 1982-04-06 — — US disclosed
EP-0027258-A1 Phosphoryl muramyl peptides, method for their preparation and their use in medicines CIBA-GEIGY AG (CH) 1981-04-22 — — EP disclosed
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