SCHEMBL29523552

SCHEMBL29523552

COC(=O)[C@@H]1C[C@@H](C2CCCC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NR1H2 P55055 2/20 0.40
MMP2 P08253 1/20 0.39
ANPEP P15144 1/20 0.39
CYP3A4 P08684 6/20 0.39
NR1H3 Q13133 1/20 0.39
MAPT P10636 2/20 0.39
FKBP1A P62942 1/20 0.39
PTPN1 P18031 1/20 0.38
EPHX1 P07099 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ELANE P08246 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL30571945 0.99 ALDH1A1 (0.44) ALDH1A1NR1H2MMP2ANPEPCYP3A4
SCHEMBL26567723 0.99 ALDH1A1 (0.44) ALDH1A1NR1H2MMP2ANPEPCYP3A4
SCHEMBL30392400 0.99 ALDH1A1 (0.44) ALDH1A1NR1H2MMP2ANPEPCYP3A4
SCHEMBL30181036 0.97 NR1H2 (0.40) ALDH1A1NR1H2MMP2ANPEPCYP3A4
SCHEMBL7629700 0.94 ALDH1A1 (0.42) ALDH1A1NR1H2MMP2ANPEPCYP3A4
SCHEMBL6184237 0.94 ALDH1A1 (0.42) ALDH1A1NR1H2MMP2ANPEPCYP3A4
SCHEMBL30396157 0.94 CYP3A4 (0.43) ALDH1A1NR1H2MMP2ANPEPCYP3A4
SCHEMBL18084464 0.90 NR1H2 (0.43) ALDH1A1NR1H2MMP2ANPEPCYP3A4
SCHEMBL15013224 0.86 NPC1 (0.42) ALDH1A1NR1H2CYP3A4NR1H3MAPT
SCHEMBL24113374 0.86 HSD17B10 (0.45) NR1H2NR1H3EPHX1HSD17B10ELANE

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-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed