SCHEMBL11073296

SCHEMBL11073296

O=C(O)CCC(C(=O)O)C1CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 5/20 0.45
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DHODH Q02127 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
XBP1 P17861 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL8802816 0.86 TSHR (0.50) ECE1HTTALDH1A1TSHRHPGD
SCHEMBL9633773 0.84 ALDH1A1 (0.46) HTTALDH1A1TSHRHPGDBLM
SCHEMBL829965 0.80 PPARA (0.45) ECE1HTTALDH1A1
SCHEMBL7956194 0.77 CYP1A2 (0.53) ECE1TSHRHTR2CSLC6A3
SCHEMBL7956197 0.77 CYP1A2 (0.53) ECE1TSHRHTR2CSLC6A3
SCHEMBL6476247 0.77 HTT (0.49) HTTALDH1A1TSHRBLMMEN1
SCHEMBL5623941 0.76 HTR6 (0.51) HTT
SCHEMBL30644032 0.76 HTT (0.48) HTTALDH1A1TSHRBLMMEN1
SCHEMBL5285710 0.76 HTT (0.48) HTTALDH1A1TSHRBLMMEN1
SCHEMBL9567950 0.75 TRPM8 (0.48) ECE1HTTALDH1A1BLM

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-4471124-A DIABETIC COMPLICATIONS PFIZER INC. (US) 1984-09-11 US disclosed
US-4442114-A COMPLICATIONS OF DIABETES PFIZER INC. (US) 1984-04-10 US disclosed
US-4307108-A DIABETES PFIZER INC. (US) 1981-12-22 US disclosed