SCHEMBL27362748

SCHEMBL27362748

Cc1ccc(C(C)(C)C)cc1NC1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ FLT3 P36888 1/20 0.34

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
SCHEMBL16418620 0.93 HDAC8 (0.43) HDAC8ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL22704137 0.78 ALDH1A1 (0.38) HDAC8ALDH1A1LMNAMAPTKDM4E
SCHEMBL21064117 0.75 DDB1 (0.55) LMNASMN1; SMN2MAPTDDB1CRBN
SCHEMBL25041354 0.74 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2MAPTCRHBP
SCHEMBL5608474 0.74 HDAC8 (0.59) HDAC8ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL19697062 0.73 POLB (0.43) ALDH1A1LMNASMN1; SMN2MAPTCRHBP
SCHEMBL13663589 0.72 HDAC8 (0.54) HDAC8ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL13801923 0.72 HDAC8 (0.57) HDAC8ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL16418618 0.72 TSHR (0.41) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL24506805 0.71 MALT1 (0.43) HDAC8LMNAKDM4EPOLBEPHX1

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
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
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