SCHEMBL30506293

SCHEMBL30506293

CC1(C)CC(=O)c2c(O)cc(OCC(=O)O)cc2O1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 3/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
GAA P10253 2/20 0.65
HPGD P15428 2/20 0.65
HTT P42858 1/20 0.65
MITF O75030 1/20 0.63
NR2F2 P24468 1/20 0.63
MAPT P10636 2/20 0.63
TSHR P16473 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
GLA P06280 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL20116252 1.00 MEN1 (0.67) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5717619 0.89 KDM4E (0.71) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3953972 0.82 RAB9A (0.65) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL10403135 0.82 RAB9A (0.65) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL10402572 0.81 RAB9A (0.64) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5717611 0.79 ALDH1A1 (0.81) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1146705 0.78 ALDH1A1 (1.00) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5717859 0.78 KDM4E (0.66) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4508350 0.77 ALDH1A1 (0.61) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL11381322 0.74 ALDH1A1 (0.61) MEN1KMT2ARAB9ANPC1ALDH1A1

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
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed