SCHEMBL26560375

SCHEMBL26560375

CCC(C)N(C(=O)CNC(=O)c1ccc2c(c1)CCCO2)C(CC)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.42
WNT3A P56704 5/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
KLF5 Q13887 2/20 0.40
PKM P14618 1/20 0.40
PAX8 Q06710 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CACNA1H O95180 1/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 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
SCHEMBL8317337 0.74 CTNNB1 (0.56) CTNNB1WNT3ARAB9ANPC1KLF5
SCHEMBL26115654 0.71 KDM4E (0.68) CTNNB1WNT3ARAB9ANPC1TP53
SCHEMBL30571714 0.71 CTNNB1 (0.44) CTNNB1WNT3ARAB9ANPC1TP53
SCHEMBL3787786 0.69 TAS1R3 (0.61) CTNNB1WNT3ARAB9ANPC1TAS1R3
SCHEMBL3788073 0.68 CTNNB1 (0.53) CTNNB1WNT3ARAB9ANPC1KLF5
SCHEMBL30572064 0.68 RAB9A (0.53) CTNNB1WNT3ARAB9ANPC1TP53
SCHEMBL8322382 0.68 RAB9A (0.53) CTNNB1WNT3ARAB9ANPC1KLF5
SCHEMBL3787714 0.66 HPGD (0.54) CTNNB1WNT3ARAB9ANPC1KLF5
SCHEMBL7439487 0.66 KMT2A (0.53) CTNNB1WNT3ARAB9ANPC1HPGD
SCHEMBL4848144 0.66 CTNNB1 (0.56) CTNNB1WNT3ARAB9ANPC1TAS1R3

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-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed