SCHEMBL8731689

SCHEMBL8731689

O=C(O)/C=C\C(=O)OCCCCOC(=O)/C=C\C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 12/20 0.80
ATM Q13315 1/20 0.60
TSHR P16473 4/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TP53 P04637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.40
APP P05067 1/20 0.37

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
SCHEMBL2790619 1.00 HCAR2 (0.80) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL11411625 0.98 HCAR2 (0.81) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL128638 0.98 HCAR2 (0.81) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL28266592 0.98 HCAR2 (0.81) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL14340993 0.98 HCAR2 (0.81) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL27670904 0.95 HCAR2 (0.76) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL9150506 0.95 HCAR2 (0.76) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL2813247 0.91 HCAR2 (0.69) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL2811739 0.91 HCAR2 (0.69) HCAR2ATMTSHRALDH1A1CYP3A4
SCHEMBL2811733 0.91 HCAR2 (0.69) HCAR2ATMTSHRALDH1A1CYP3A4

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
CN-110563867-B Preparation method of high molecular weight high cis content polybutylene maleate 清华大学 2020-06-02 CN disclosed
CN-110563867-A Preparation method of high molecular weight high cis content polybutylene maleate 清华大学 2019-12-13 CN disclosed
US-5705715-A Process for preparing 1,4-butanediol from maleic anhydride BAYER AKTIENGESELLSCHAFT (DE) 1998-01-06 US disclosed