SCHEMBL9328508

SCHEMBL9328508

Cc1cc(CO)c(O)c(CO)c1.OCc1cccc(CO)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
AMY1A P0DUB6 1/20 0.47
SHBG P04278 1/20 0.44
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
HSPA5 P11021 1/20 0.38
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37

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
SCHEMBL187792 0.89 SHBG (0.52) AMY1ASHBGCYP2C9CYP2C19SMN1; SMN2
SCHEMBL196227 0.83 GABRA1 (0.57) GABRA1GABRB2PDCD1CD274MEN1
SCHEMBL29400422 0.82 AMY1A (0.61) AMY1ASHBGCYP2C9CYP2C19SMN1; SMN2
SCHEMBL1482608 0.82 AMY1A (0.61) AMY1ASHBGCYP2C9CYP2C19SMN1; SMN2
SCHEMBL210506 0.82 AMY1A (0.61) AMY1ASHBGCYP2C9CYP2C19SMN1; SMN2
SCHEMBL987106 0.82 AMY1A (0.56) GABRA1GABRB2AMY1ASHBGPDCD1
SCHEMBL8070021 0.81 TRPA1 (0.59) GABRA1GABRB2AMY1ASHBGPDCD1
P-Cresol SCHEMBL28143056 0.81 ACHE (0.54) GABRA1GABRB2AMY1APDCD1CD274
SCHEMBL15080879 0.80 SHBG (0.45) GABRA1GABRB2AMY1ASHBGCYP2C9
SCHEMBL23864793 0.80 SHBG (0.43) GABRA1GABRB2AMY1ASHBGPDCD1

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
US-5296332-A Crosslinkable aqueous developable photoresist compositions and method for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-03-22 US claimed
EP-0543761-A1 Crosslinkable aqueous developable photoresist compositions and method for use thereof International Business Machines Corporation (US) 1993-05-26 EP claimed