SCHEMBL23639732

SCHEMBL23639732

Cc1ccc(C(C)(C)C(=O)CC(C)O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
VDR P11473 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
AR P10275 2/20 0.35
POLB P06746 1/20 0.35
CACNA1B Q00975 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL10227948 0.77 KIF11 (0.40) KIF11VDRPOLBSMN1; SMN2LMNA
SCHEMBL10110040 0.72 MCL1 (0.39) KIF11TDP1POLBSMN1; SMN2LMNA
SCHEMBL10228100 0.72 APP (0.47) KIF11TDP1CYP2C9
SCHEMBL10227951 0.72 ALDH1A1 (0.41) KIF11VDRTDP1POLBSMN1; SMN2
SCHEMBL12260682 0.70 ACHE (0.47) KIF11TDP1SMN1; SMN2LMNA
SCHEMBL6671026 0.69 CES2 (0.40) KIF11TDP1POLBSMN1; SMN2LMNA
SCHEMBL10228098 0.69 CNR2 (0.51) VDRCACNA1BSMN1; SMN2LMNA
SCHEMBL10228094 0.67 NPC1 (0.38) KIF11TDP1POLBSMN1; SMN2LMNA
SCHEMBL1713303 0.66 TDP1 (0.39) KIF11VDRTDP1POLBSMN1; SMN2
SCHEMBL8736799 0.66 TDP1 (0.39) KIF11VDRTDP1POLBSMN1; SMN2

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
EP-3848361-A1 METHOD OF PRODUCING TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-07-14 EP disclosed