SCHEMBL31035338

SCHEMBL31035338

CC(=O)c1cc(C)cc2c(=O)c(C)c(C(C)C)oc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
MAPT P10636 4/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CA P42336 3/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
CSNK2A2 P19784 2/20 0.30

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
SCHEMBL31035313 0.78 KDM4E (0.36) KDM4EMAPTHSD17B10ALDH1A1NPC1
SCHEMBL31035274 0.78 PIK3CA (0.36) KDM4EHSD17B10PIK3CAAKT1AKT2
SCHEMBL31035594 0.78 ESR2 (0.39) MAOBESR1ESR2CSNK2A2CSNK2B
SCHEMBL31035016 0.75 PIK3CA (0.34) PIK3CAAKT1AKT2AKT3
SCHEMBL31035222 0.75 KDM4E (0.34) KDM4EMAPTHSD17B10ALDH1A1NPC1
SCHEMBL23887184 0.74 KDM4E (0.33) KDM4EMAPTHSD17B10ALDH1A1NPC1
SCHEMBL24912981 0.74 ALDH1A1 (0.50) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL31035139 0.72 AKT1 (0.46) ALDH1A1NPC1SMN1; SMN2PIK3CAAKT1
SCHEMBL31035046 0.72 KDM4E (0.32) KDM4EMAPTHSD17B10ALDH1A1NPC1
SCHEMBL25181499 0.71 PIK3CA (0.34) KDM4EMAPTHSD17B10ALDH1A1NPC1

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
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed