SCHEMBL27296444

SCHEMBL27296444

C1=Cc2cccc3cccc(c23)C1.O=C(O)c1ccc(C(=O)OCl)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PPARG P37231 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RXRA P19793 2/20 0.30
▸ RXRB P28702 2/20 0.30
▸ RXRG P48443 2/20 0.30
▸ DHODH Q02127 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ TSHR P16473 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
Terephthalic Acid SCHEMBL27475251 0.89 MEN1 (0.42) MEN1KMT2ACA12CA9RXFP1
Terephthalic Acid SCHEMBL27585525 0.89 MEN1 (0.42) MEN1KMT2ACA12CA9RXFP1
Benzoic Acid SCHEMBL28206140 0.85 DAO (0.42) MEN1KMT2ACA12CA9RXFP1
SCHEMBL27673211 0.82 MEN1 (0.49) MEN1KMT2ACA12CA9KDM4E
Bicarbonate SCHEMBL27933722 0.81 TSHR (0.36) MEN1KMT2ARXFP1KDM4ETDP1
SCHEMBL28316156 0.80 MKNK1 (0.38) MEN1KMT2ACA12CA9RXFP1
Oxalic Acid SCHEMBL27401043 0.79 CYP2C19 (0.35) MEN1KMT2AKDM4ETDP1CYP2D6
SCHEMBL28040589 0.78 CYP2D6 (0.33) MEN1KMT2AKDM4ETDP1CYP2D6
Acetic Acid SCHEMBL663243 0.78 CYP2C19 (0.40) MEN1KMT2AKDM4ECYP2D6CYP2C19
SCHEMBL28022926 0.78 CYP3A4 (0.39) MEN1KMT2AKDM4ECYP2D6CYP2C19

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-1035395-C Fibers with improved hydrolytic stability DU PONT (US) 1997-07-09 — — CN disclosed
CN-1047350-A Fiber with hydrolytic stability of improvement DU PONT (US) 1990-11-28 — — CN disclosed
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