SCHEMBL28700750

SCHEMBL28700750

O=C(c1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C(=O)C4CCC(C(=O)O)C(C(=O)O)C4)c3)n2)c1)C1CCC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.42
▸ ADORA1 P30542 5/20 0.42
▸ ADORA3 P0DMS8 4/20 0.42
▸ KDM2B Q8NHM5 2/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.40
▸ VCP P55072 4/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ CTRC Q99895 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
SCHEMBL28699472 0.90 ADORA3 (0.45) ADORA2AADORA1ADORA3VCPMGLL
SCHEMBL29564497 0.82 ADORA2A (0.39) ADORA2AADORA1ADORA3KDM2BFFAR4
SCHEMBL28692669 0.76 EPHX2 (0.41) ADORA2AADORA1ADORA3FFAR4VCP
SCHEMBL28688794 0.72 MCL1 (0.47) ADORA2AADORA1ADORA3FFAR4VCP
SCHEMBL2980744 0.70 AKR1C3 (0.56) MGLL
SCHEMBL2980743 0.70 AKR1C3 (0.56) MGLL
SCHEMBL2980746 0.70 AKR1C3 (0.56) MGLL
SCHEMBL8486583 0.69 KMO (0.67) ADORA1KMOCTRC
SCHEMBL28700825 0.68 AKR1C3 (0.37) KMO
Biphenyl SCHEMBL7614586 0.67 RAB9A (0.63) ADORA2AADORA1ADORA3FFAR4VCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968971-B Preparation method of soluble and low-temperature rapid imidization polyimide film 富优特(山东)新材料科技有限公司 2022-05-27 — — CN claimed
CN-113968971-A Preparation method of soluble and low-temperature rapid imidization polyimide film 富优特(山东)新材料科技有限公司 2022-01-25 — — CN claimed
Send feedback