SCHEMBL25513911

SCHEMBL25513911

CC/N=c1/ccc2c(-c3ccccc3C(=O)OCC)c3ccc(C)cc3oc-2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.47
▸ USP2 O75604 2/20 0.46
▸ CFTR P13569 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ GOPC Q9HD26 1/20 0.46
▸ NPC1 O15118 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL6056007 0.89 ABCB1 (0.47) ABCB1USP2CFTRPAX8ATM
SCHEMBL14192859 0.89 ABCB1 (0.44) ABCB1USP2CFTRPAX8ATM
SCHEMBL13653629 0.89 ABCB1 (0.47) ABCB1USP2CFTRPAX8ATM
SCHEMBL22851948 0.88 MAOB (0.45) ABCB1USP2CFTRPAX8ATM
Hydrochloric Acid SCHEMBL5605911 0.88 USP2 (0.47) ABCB1USP2CFTRPAX8ATM
SCHEMBL13310858 0.84 ABCB1 (0.41) ABCB1USP2CFTRPAX8ATM
SCHEMBL18637298 0.83 ABCB1 (0.56) ABCB1USP2CFTRPAX8ATM
SCHEMBL17413919 0.81 ABCB1 (0.45) ABCB1USP2CFTRPAX8ATM
SCHEMBL3808753 0.81 ABCB1 (0.46) ABCB1USP2CFTRPAX8ATM
SCHEMBL14192857 0.80 ABCB1 (0.54) ABCB1USP2CFTRPAX8ATM

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-20230167303-A1 COLOR MATCHED AND BRIGHT FLUORESCENT MATERIALS COMPOSED OF SMALL-MOLECULE IONIC LATTICES UNIVERSITY OF COPENHAGEN (DK) 2023-06-01 — — US disclosed
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