SCHEMBL9562152

SCHEMBL9562152

O=C(O)CCC(C(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.62
ESR2 Q92731 7/20 0.62
CYP3A4 P08684 3/20 0.62
ALDH1A1 P00352 2/20 0.62
CA2 P00918 2/20 0.45
CAMK2A Q9UQM7 1/20 0.45
CYP1A1 P04798 1/20 0.42
CHEK1 O14757 1/20 0.41
FYN P06241 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
GRK5 P34947 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAPK8 P45983 1/20 0.41
CDK8 P49336 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKX P51817 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL4221554 0.89 ESR1 (0.54) ESR1ESR2CYP3A4ALDH1A1CA2
SCHEMBL4212101 0.86 ESR1 (0.51) ESR1ESR2CYP3A4ALDH1A1CA2
SCHEMBL4214690 0.86 ESR1 (0.51) ESR1ESR2CYP3A4ALDH1A1CA2
SCHEMBL379350 0.84 CYP2C19 (0.44) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL4016674 0.83 CHEK1 (0.44) ESR1ESR2CYP3A4ALDH1A1CHEK1
SCHEMBL1253192 0.83 ALDH1A1 (0.47) ESR1ESR2CYP3A4ALDH1A1CHEK1
SCHEMBL2220443 0.81 ESR1 (0.44) ESR1ESR2CYP3A4ALDH1A1CA2
SCHEMBL890797 0.81 ESR1 (0.57) ESR1ESR2CYP3A4ALDH1A1CA2
SCHEMBL1916607 0.80 ALDH1A1 (0.41) ESR1ESR2CYP3A4ALDH1A1CHEK1
SCHEMBL4214180 0.80 CA2 (0.48) ESR1ESR2CYP3A4ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5200385-A Comprising leuco dye, color developer and water soluble alkylphosphate lubricants; antifogging, smoothness RICOH COMPANY, LTD. (JP) 1993-04-06 US disclosed
US-5126486-A Color developers for leuco dyes in thermal printing RICOH COMPANY, LTD. (JP) 1992-06-30 US disclosed
US-4978651-A With a colorless or light colored leuco dye for inducing color formation RICOH COMPANY, LTD. (JP) 1990-12-18 US disclosed