SCHEMBL29023210

SCHEMBL29023210

COC(=O)C12CCC(N3CCOCC3)(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD11B1 P28845 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
GLA P06280 1/20 0.35
RECQL P46063 1/20 0.35
CHRM1 P11229 1/20 0.34
HCN4 Q9Y3Q4 1/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL20337531 0.84 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TDP1GLARECQL
SCHEMBL24371527 0.78 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1GLAHSD17B10
SCHEMBL29023203 0.77 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30409023 0.77 KDM4E (0.38) SMN1; SMN2HSD17B10HTT
SCHEMBL3717877 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1MAPTGLA
SCHEMBL25746601 0.76 TDP1 (0.39) SMN1; SMN2ALDH1A1TDP1GLAALOX15
SCHEMBL2445606 0.74 NPSR1 (0.46) ALDH1A1HSD11B1MAPTCHRM1CYP3A4
SCHEMBL2707689 0.74 HCN4 (0.40) SMN1; SMN2ALDH1A1MAPTGLARECQL
SCHEMBL28436716 0.69 HSD11B1 (0.40) HSD11B1CHRM1CYP3A4
SCHEMBL2451039 0.68 NPSR1 (0.46) ALDH1A1HSD11B1MAPTGLACHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232451-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2023-08-30 EP disclosed
CN-116348468-A CFTR modulator compounds, compositions and uses thereof 日东制药株式会社 2023-06-27 CN disclosed
WO-2022084741-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-28 WO disclosed