SCHEMBL22984079

SCHEMBL22984079

CC(C)(CCc1ccccc1)CC(C)(C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ GRM3 Q14832 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
SCHEMBL6803588 0.88 HDAC3 (0.50) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL28208793 0.81 LMNA (0.51) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL27478411 0.79 LTB4R (0.53) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL27957913 0.77 AR (0.47) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL5320849 0.77 MAPT (0.46) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL9190217 0.77 GRM2 (0.46) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL8759 0.76 SLC6A2 (0.56) KMT2AMAPTALDH1A1LMNASLC6A2
SCHEMBL24340783 0.76 SMN1; SMN2 (0.47) KMT2AMAPTALDH1A1LMNASLC6A2
SCHEMBL7450180 0.75 SLC13A5 (0.50) KMT2AMAPTHDAC3HDAC4HDAC1
SCHEMBL28487224 0.75 SMN1; SMN2 (0.46) KMT2AMAPTALDH1A1POLBNPC1

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
US-11732138-B2 Deep ultraviolet-excitable water-solvated polymeric dyes BECTON, DICKINSON AND COMPANY (US) 2023-08-22 — — US disclosed
US-10920082-B2 Blue-excitable water-solvated polymeric dyes BECTON, DICKINSON AND COMPANY (US) 2021-02-16 — — US disclosed
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