SCHEMBL30883178

SCHEMBL30883178

O=C1Oc2ccccc2[C@H]2C[C@@H]12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HTR2A P28223 5/20 0.41
HTR2C P28335 5/20 0.41
HRH1 P35367 3/20 0.41
ATM Q13315 1/20 0.40
CYP2C9 P11712 3/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL14135291 1.00 MAOA (0.42) MAOAMAOBHTR2AHTR2CHRH1
SCHEMBL2975637 0.82 MAOB (0.38) MAOBHTR2AHTR2CHRH1CYP2C9
SCHEMBL16257251 0.81 STS (0.50) MAOAMAOBHTR2AHTR2CHRH1
SCHEMBL8609337 0.74 CYP2C9 (0.34) MAOAMAOBHTR2AHTR2CHRH1
SCHEMBL29007512 0.73 MAOA (0.43) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL20785351 0.72 MAOA (0.46) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL20785352 0.72 MAOA (0.46) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL16785724 0.72 MAOA (0.46) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL20785353 0.72 MAOA (0.46) MAOAMAOBATMCYP2C9HDAC3
SCHEMBL20785354 0.72 MAOA (0.46) MAOAMAOBATMCYP2C9HDAC3

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-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed