SCHEMBL30933788

SCHEMBL30933788

CC(C)Oc1ccc(Cl)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.47
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MDM2 Q00987 2/20 0.40
CSNK2A1 P68400 2/20 0.40
RORC P51449 1/20 0.40
ALDH1A3 P47895 1/20 0.39
SLC9A1 P19634 1/20 0.39
GLA P06280 1/20 0.38

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
SCHEMBL4209586 1.00 ERN1 (0.47) ERN1TDP1HPGDALDH1A1CYP1A2
SCHEMBL6097515 0.87 ERN1 (0.51) ERN1TDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL14785211 0.86 ERN1 (0.44) ERN1TDP1HPGDALDH1A1CYP1A2
SCHEMBL3936165 0.82 TSHR (0.66) ERN1HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL11870708 0.82 ERN1 (0.41) ERN1TDP1HPGDALDH1A1CYP1A2
SCHEMBL15332582 0.82 TSHR (0.66) ERN1HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL613846 0.82 ERN1 (0.47) ERN1TDP1HPGDALDH1A1TSHR
SCHEMBL30480709 0.82 ERN1 (0.47) ERN1TDP1HPGDALDH1A1TSHR
SCHEMBL16950496 0.82 TSHR (0.41) ERN1HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL340634 0.82 MDM2 (0.40) HPGDALDH1A1CYP1A2CYP2C9CYP2C19

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-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed