SCHEMBL9817853

SCHEMBL9817853

C=C(C)C(=O)OCc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAOA P21397 1/20 0.41
TSHR P16473 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
PPID Q08752 1/20 0.38
PPIG Q13427 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4D Q08499 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
SCHEMBL254038 0.91 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL17791311 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL92326 0.85 MEN1 (0.53) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL16125663 0.85 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL15944747 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL24019226 0.85 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL4354853 0.84 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4TSHRMEN1
SCHEMBL10720993 0.84 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL9554958 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL148297 0.84 MAOB (0.47) ALDH1A1TSHRMAOBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0169205-B1 METHOD OF PREPARING COPOLYMERS UTILIZING ISOIMIDES Hughes Aircraft Company (US) 1991-11-13 EP disclosed
US-4613637-A COATINGS, FILMS, ENCAPSULANTS HUGHES AIRCRAFT COMPANY (US) 1986-09-23 US disclosed
EP-0169205-A1 METHOD OF PREPARING COPOLYMERS UTILIZING ISOIMIDES. HUGHES AIRCRAFT CO (US) 1986-01-29 EP disclosed
WO-1985002853-A1 COPOLYMERS UTILIZING ISOIMIDES AND METHOD OF PREPARING SAME HUGHES AIRCRAFT COMPANY (US) 1985-07-04 WO disclosed