SCHEMBL28820040

SCHEMBL28820040

CCOC(=O)CC1=CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 1/20 0.43
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSTP1 P09211 1/20 0.39

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
SCHEMBL8693254 1.00 ALDH1A1 (0.46) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL472103 0.98 ALDH1A1 (0.47) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL19259376 0.93 ALDH1A1 (0.43) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL5181522 0.84 MGAM (0.43) ALDH1A1SMN1; SMN2GAAKMT2AHSD17B10
SCHEMBL3988008 0.82 ALDH1A1 (0.51) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL472083 0.81 ALDH1A1 (0.49) ALDH1A1ALOX15TSHRSMN1; SMN2HPGD
SCHEMBL16378090 0.80 ALDH1A1 (0.49) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL27322930 0.80 ALDH1A1 (0.41) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL29159725 0.79 KMT2A (0.36) ALDH1A1TP53ALOX15TSHRSMN1; SMN2
SCHEMBL472109 0.78 KMT2A (0.41) ALDH1A1ALOX15TSHRSMN1; SMN2HPGD

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-104755482-B functionalized 9-bromo-camptothecin derivatives 内尔维阿诺医学科学有限公司 2017-04-26 CN disclosed
CN-104755482-A Functionalized 9-bromo-camptothecin derivatives NERVIANO MEDICAL SCIENCES SRL 2015-07-01 CN disclosed