SCHEMBL8732103

SCHEMBL8732103

CC=CCC(=O)OCCO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.45
TSHR P16473 1/20 0.40
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
MAPT P10636 2/20 0.34
BLM P54132 1/20 0.34
DGKA P23743 1/20 0.33
ACHE P22303 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL9579787 0.83 DGKA (0.42) MGLLTSHRADRA2AADRA1AMAPT
SCHEMBL10580042 0.83 DGKA (0.42) MGLLTSHRADRA2AADRA1AMAPT
SCHEMBL8196636 0.83 DGKA (0.42) MGLLTSHRADRA2AADRA1AMAPT
SCHEMBL4912247 0.81 ADRA2A (0.34) MGLLADRA2AADRA1AMAPTBLM
SCHEMBL1490295 0.81 MGLL (0.44) MGLLTSHRMAPTDGKAACHE
SCHEMBL10544957 0.79 ATM (0.50) MGLLTSHRMAPTDGKAALDH1A1
SCHEMBL8197678 0.79 ATM (0.50) MGLLTSHRMAPTDGKAALDH1A1
SCHEMBL27143437 0.79 ADRA2A (0.63) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL28424615 0.78 CYP19A1 (0.42) ACHEEPHX2ALDH1A1
SCHEMBL297172 0.78 MGLL (0.53) MGLLTSHRMAPTDGKAACHE

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
EP-0822942-A1 MODIFIED ANTI-ICAM-1 ANTIBODIES AND THEIR USE IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-02-11 EP claimed
US-5695760-A POLYETHYLENE OXIDE ADDUCT BOEHRINGER INGLEHIEM PHARMACEUTICALS, INC. (US) 1997-12-09 US claimed
WO-1996034015-A1 MODIFIED ANTI-ICAM-1 ANTIBODIES AND THEIR USE IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-10-31 WO claimed