SCHEMBL11043718

SCHEMBL11043718

CCCCOOCC(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.36
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
GABRR1 P24046 1/20 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
SCHEMBL28222922 0.83 ALDH1A1 (0.44) ACE2ALDH1A1ATMCA2MAPK1
SCHEMBL8930066 0.82 GABRR1 (0.46) ACE2CYP1A2GABRR1
SCHEMBL446836 0.82 ACE2 (0.46) ACE2ALDH1A1TSHRCYP1A2
SCHEMBL16299711 0.82 ACE2 (0.46) ACE2ALDH1A1TSHRCYP1A2
Bicarbonate SCHEMBL1538407 0.78 ALDH1A1 (0.52) ALDH1A1ATMHCAR2GPR84FFAR1
SCHEMBL11844397 0.76 USP2 (0.48) ACE2CYP1A2
Acetic Acid SCHEMBL2136672 0.75 ALDH1A1 (0.56) ALDH1A1ATMHCAR2GPR84FFAR1
SCHEMBL10611374 0.75 CA2 (0.65) ALDH1A1ATMCA2MAPK1HCAR2
SCHEMBL27804893 0.75 ACE2 (0.47) ACE2ALDH1A1HCAR2GPR84FFAR1
SCHEMBL298769 0.74 ALDH1A1 (0.38) ALDH1A1ATMTSHRTDP1L3MBTL1

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
US-4435473-A POLYMER REINFORCEMENT PPG INDUSTRIES, INC. (US) 1984-03-06 US disclosed