SCHEMBL18538255

SCHEMBL18538255

Cc1cc2c(O)c(c1)Cc1cc(C)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(C)cc(c1O)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
PTPN1 P18031 3/20 0.39
PTPN2 P17706 2/20 0.39
PTPN4 P29074 1/20 0.39
PTPN9 P43378 1/20 0.39
PTPN11 Q06124 1/20 0.39
MMP3 P08254 1/20 0.37
BCL2L1 Q07817 1/20 0.37
ALOX5 P09917 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
ESR2 Q92731 1/20 0.36
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 3/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
IDH1 O75874 1/20 0.36
BACE1 P56817 1/20 0.35
CD69 Q07108 1/20 0.35

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
SCHEMBL18538253 1.00 CRHBP (0.44) CRHBPCRHR2PTPN1PTPN2PTPN4
SCHEMBL18538259 1.00 CRHBP (0.44) CRHBPCRHR2PTPN1PTPN2PTPN4
SCHEMBL18538304 0.86 ING2 (0.60) CRHBPCRHR2PTPN1PTPN2PTPN4
SCHEMBL18538306 0.86 ING2 (0.60) CRHBPCRHR2PTPN1PTPN2PTPN4
SCHEMBL18538272 0.82 CD69 (0.52) PTPN1PTPN2CD69PTPN6ALDH1A1
SCHEMBL18538268 0.82 CD69 (0.52) PTPN1PTPN2CD69PTPN6ALDH1A1
SCHEMBL18538275 0.82 CD69 (0.52) PTPN1PTPN2CD69PTPN6ALDH1A1
SCHEMBL13287042 0.81 SELL (0.48) PTPN1PTPN2PTPN4PTPN9PTPN11
SCHEMBL18538261 0.81 ING2 (0.36) ESR2ING2SMN1; SMN2
SCHEMBL18538263 0.81 ING2 (0.36) ESR2ING2SMN1; SMN2

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
US-20170052154-A1 COMPOUNDS AND CONJUGATES FOR IDENTIFYING AND SEPARATING POST-TRANSLATIONALLY MODIFIED ANALYTES UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2017-02-23 US disclosed