SCHEMBL30780905

SCHEMBL30780905

CCCCOC(=O)Nc1ccc(O)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.76
NPC1 O15118 9/20 0.76
SMN1; SMN2 Q16637 8/20 0.76
HPGD P15428 6/20 0.76
CYP1A2 P05177 2/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.60
LMNA P02545 5/20 0.58
ALDH1A1 P00352 5/20 0.57
MAPT P10636 5/20 0.57
KDM4E B2RXH2 2/20 0.57
CASP1 P29466 1/20 0.57
MAPK1 P28482 1/20 0.57
MCL1 Q07820 1/20 0.57
EPHX2 P34913 1/20 0.53
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52

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
SCHEMBL4352215 0.95 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10476873 0.89 RAB9A (0.80) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL16696408 0.85 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7420208 0.84 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7595757 0.83 ESR1 (0.60) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL29666364 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL8604284 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7564852 0.82 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL9745408 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL16374744 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDCYP1A2

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-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed