SCHEMBL28977971

SCHEMBL28977971

CC(C)COC(=O)OC(C)(C)C#Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.40
MAPT P10636 3/20 0.39
FFAR1 O14842 2/20 0.39
LMNA P02545 1/20 0.38
P2RX4 Q99571 1/20 0.37
ACACB O00763 2/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL28540489 0.85 MAPT (0.44) ALDH1A1MAPTFFAR1LMNARAB9A
SCHEMBL26939503 0.79 FFAR1 (0.38) ALDH1A1MAPTFFAR1LMNAKDM4E
SCHEMBL31454048 0.78 MAPT (0.47) ALDH1A1MAPTFFAR1LMNARAB9A
SCHEMBL38664095 0.77 MAPT (0.42) ALDH1A1MAPTFFAR1LMNARAB9A
SCHEMBL26939288 0.75 MAPT (0.42) ALDH1A1MAPTFFAR1LMNARAB9A
SCHEMBL13896340 0.74 MAPT (0.41) ALDH1A1MAPTFFAR1LMNARAB9A
SCHEMBL31454063 0.74 FFAR1 (0.39) ALDH1A1TSHRMAPTFFAR1ACACB
SCHEMBL26939701 0.73 ELANE (0.42) ALDH1A1MAPTFFAR1LMNARAB9A
SCHEMBL23183062 0.72 MAPT (0.42) ALDH1A1MAPTFFAR1LMNAHTT
SCHEMBL28977961 0.70 CA12 (0.41) ALDH1A1HPGDMAPTFFAR1LMNA

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
CN-115710227-B Preparation method of indenoisoquinoline derivative 深圳万知达企业管理有限公司 2025-03-18 CN disclosed
CN-115710227-A Preparation method of indenoisoquinoline derivative 广东工业大学 2023-02-24 CN disclosed