SCHEMBL8836632

SCHEMBL8836632

CCCC(=O)CC(C)(O)CCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
FFAR3 O14843 3/20 0.35
TSHR P16473 1/20 0.33
FDPS P14324 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CTSD P07339 1/20 0.30

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
SCHEMBL2761928 0.84 TDP1 (0.41) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL269663 0.80 CES2 (0.43) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL23824840 0.78 CES2 (0.41) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL8897111 0.77 ALDH1A1 (0.36) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL2152498 0.76 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL961850 0.76 HMGCR (0.40) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL333179 0.76 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL2153315 0.76 HMGCR (0.67) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL28875311 0.75 CES2 (0.43) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL23369880 0.75 KMT2A (0.48) ALDH1A1CES2CES1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698717-A REACTING A POLYHYDRIC PHENOL WITH A KETONE IN PRESENCE OF AN ACID CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0688770-A2 Process for preparing hydroxyflavan compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-12-27 EP disclosed
EP-0021827-B1 POLYALKYLHYDROXYCHROMENE AND PROCESS FOR PREPARING THE SAME MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-05-11 EP disclosed
US-4323505-A HERBICIDES, FUNGICIDES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US disclosed
EP-0021827-A1 Polyalkylhydroxychromene and process for preparing the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-01-07 EP disclosed