SCHEMBL27731508

SCHEMBL27731508

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2C1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.78
▸ MEN1 O00255 4/20 0.75
▸ KMT2A Q03164 4/20 0.75
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CASP1 P29466 1/20 0.66
▸ CASP7 P55210 1/20 0.66
▸ HBB P68871 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ GLA P06280 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL27699980 0.99 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL27699979 0.98 TOP1 (0.76) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4449734 0.90 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27731507 0.90 TOP1 (0.74) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27547969 0.89 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27752128 0.89 TOP1 (0.74) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2022729 0.88 TOP1 (0.71) TOP1MEN1KMT2A
SCHEMBL21450567 0.87 TOP1 (1.00) TOP1
SCHEMBL5319419 0.87 MEN1 (0.82) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20471997 0.87 MEN1 (0.82) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1

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-101376658-A 7-position cycloalkyl substituted camptothecine derivative, synthetic method and use thereof USTC UNIV SCIENCE TECH CN (CN) 2009-03-04 — — CN claimed
CN-101376658-A 7-position cycloalkyl substituted camptothecine derivative, synthetic method and use thereof USTC UNIV SCIENCE TECH CN (CN) 2009-03-04 — — CN disclosed
Send feedback