SCHEMBL8638210

SCHEMBL8638210

C=CCOc1cc(OC(=O)C=C)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 2/20 0.49
FLT3 P36888 1/20 0.48
LIG1 P18858 1/20 0.44
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
THRB P10828 3/20 0.41
FFAR1 O14842 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL11389895 0.85 KDM4E (0.53) GAATSHRKDM4ETP53ALDH1A1
SCHEMBL2902590 0.84 FLT3 (0.66) GAATSHRKDM4EFLT3ALDH1A1
SCHEMBL10786490 0.83 GAA (0.52) GAATSHRKDM4EFLT3LIG1
SCHEMBL10790899 0.83 KDM4E (0.51) GAATSHRKDM4EFLT3LIG1
SCHEMBL3313586 0.81 GAA (0.52) GAATSHRKDM4EFLT3LIG1
SCHEMBL18614861 0.80 GAA (0.70) GAATSHRKDM4EFLT3LIG1
SCHEMBL7635214 0.80 TSHR (0.57) GAATSHRKDM4EFLT3LIG1
SCHEMBL27051430 0.80 GAA (0.51) GAATSHRKDM4EFLT3LIG1
SCHEMBL27758787 0.80 THRB (0.52) TSHRKDM4ETP53THRBPTPN1
SCHEMBL21360514 0.80 CA12 (0.55) GAATSHRKDM4EALDH1A1THRB

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-5807497-A CROSSLINKED LIQUID CRYSTALLINE POLYMERS DAIMLER-BENZ AG (DE) 1998-09-15 US claimed
US-4661576-A LIQUID CRYSTALS THOMSON-CSF (FR) 1987-04-28 US disclosed