SCHEMBL256737

SCHEMBL256737

Bc1ccc(C(=O)O)c(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 3/20 0.40
DCLRE1A Q6PJP8 1/20 0.40
CYP1A2 P05177 1/20 0.39
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
FOLH1 Q04609 1/20 0.36
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ACE2 Q9BYF1 3/20 0.35
ALOX15 P16050 1/20 0.34
MAPT P10636 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
SCHEMBL24801286 0.82 APEX1 (0.44) DCLRE1BDCLRE1ACYP1A2ALDH1A1TSHR
SCHEMBL1408523 0.79 KDM4E (0.50) DCLRE1BDCLRE1ACYP1A2ALDH1A1TSHR
SCHEMBL256719 0.78 TDP1 (0.41) DCLRE1BDCLRE1ACYP1A2ALDH1A1TSHR
SCHEMBL13981636 0.78 PTPN1 (0.53) DCLRE1BDCLRE1ATSHRCA1CA2
SCHEMBL8479639 0.78 CA12 (0.47) DCLRE1BDCLRE1ACYP1A2ALDH1A1TSHR
SCHEMBL11230553 0.78 ALDH1A1 (0.57) DCLRE1BDCLRE1ACYP1A2HMGB1CXCL12
SCHEMBL13652578 0.76 ALDH1A1 (0.48) CYP1A2ALDH1A1TSHRCA12CA1
SCHEMBL3746157 0.76 PTGDR2 (0.53) DCLRE1BDCLRE1AKDM4E
SCHEMBL8768830 0.76 KDM4E (0.57) DCLRE1BDCLRE1ACYP1A2ALDH1A1CASP1
SCHEMBL365167 0.76 KEAP1 (0.50) DCLRE1BDCLRE1ACYP1A2HMGB1CXCL12

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
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO disclosed