SCHEMBL24820795

SCHEMBL24820795

COC(=O)C(C)(C)c1ccc(OCc2ccccc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.57
FFAR4 Q5NUL3 4/20 0.55
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
FFAR1 O14842 1/20 0.45
MCL1 Q07820 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2318476 0.85 FFAR4 (0.53) MRGPRX4FFAR4SMPD1HDAC1HDAC8
SCHEMBL6688277 0.83 CTSV (0.54) HPGDKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL23582396 0.81 MYC (0.48) ALDH1A1SMN1; SMN2MAPT
SCHEMBL4677286 0.81 NPC1 (0.57) FFAR4HDAC1HDAC6RXRARXRB
SCHEMBL6035274 0.80 CACNA1B (0.55) MRGPRX4SMPD1KDM4EALDH1A1
SCHEMBL12295554 0.80 MRGPRX4 (0.68) MRGPRX4FFAR4RXRARXRBRXRG
SCHEMBL6678156 0.79 RXRA (0.59) MRGPRX4SMPD1HDAC1HDAC8HDAC6
SCHEMBL16189490 0.78 CNR2 (0.54) KDM4EALDH1A1MAPTCNR1CNR2
SCHEMBL17024331 0.78 MRGPRX4 (0.55) MRGPRX4FFAR4RXRARXRBRXRG
SCHEMBL4501862 0.78 HDAC6 (0.57) MRGPRX4FFAR4HDAC1HDAC6

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed