SCHEMBL7073356

SCHEMBL7073356

O=C(O)c1cccc(O)c1C1COCCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HMGB1 P09429 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
G6PD P11413 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CTSK P43235 1/20 0.35
PRKACA P17612 2/20 0.34
ALOX12 P18054 2/20 0.34

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
SCHEMBL5784099 0.85 PRKACA (0.40) CTSKPRKACAPRKACGPRKACB
SCHEMBL29092115 0.77 CTSK (0.36) ALDH1A1HPGDCTSKPRKACAMAPT
SCHEMBL27972715 0.74 TSHR (0.37) HPGDSMN1; SMN2KDM4ECASP6CTSK
SCHEMBL29032434 0.74 APEX1 (0.36) ALDH1A1HPGDKDM4ECASP6CTSK
SCHEMBL5054635 0.71 HTR2A (0.37) ALDH1A1KDM4EPRKACAMAPTRAB9A
SCHEMBL14839512 0.70 PRKACA (0.48) HPGDSMN1; SMN2CA12CA1CA2
SCHEMBL17779339 0.70 PRKACA (0.36) ALDH1A1HPGDKDM4ECASP7CTSK
SCHEMBL25411319 0.70 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2KDM4ECASP7
SCHEMBL28153044 0.70 HSPA1A (0.42) ALDH1A1SMN1; SMN2KDM4ECASP6MAPT
SCHEMBL28683400 0.70 PRKACA (0.41) G6PDCASP7CASP6CTSKPRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183248-B1 NON-LINEAR OPTICAL DEVICES AND MATERIALS THEREFOR QINETIQ LTD (GB) 2003-06-18 EP claimed