SCHEMBL30438333

SCHEMBL30438333

CC(O)Cc1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.54
DHODH Q02127 2/20 0.44
MGAM O43451 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PDE10A Q9Y233 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
IGFBP5 P24593 2/20 0.41
IGFBP3 P17936 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30744791 0.82 ALOX15 (0.61) ALOX15MGAMALDH1A1PDE10AHPGD
SCHEMBL27928660 0.80 ALOX15 (0.58) ALOX15DHODHMGAMALDH1A1PDE10A
SCHEMBL6784060 0.80 CYP1A2 (0.53) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30744751 0.80 KDM4E (0.59) ALOX15DHODHMGAMALDH1A1PDE10A
SCHEMBL28035984 0.78 ALOX15 (0.56) ALOX15DHODHMGAMALDH1A1PDE10A
SCHEMBL28035983 0.78 ALOX15 (0.56) ALOX15DHODHMGAMALDH1A1PDE10A
SCHEMBL30420748 0.77 ALOX15 (0.63) ALOX15MGAMALDH1A1PDE10AHPGD
SCHEMBL23808984 0.76 ALOX15 (0.58) ALOX15DHODHMGAMALDH1A1PDE10A
SCHEMBL6604473 0.76 ALOX15 (0.54) ALOX15DHODHMGAMALDH1A1HPGD
SCHEMBL28623461 0.76 ALOX15 (0.54) ALOX15DHODHALDH1A1HPGDHSD17B10

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
CN-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 CN claimed