SCHEMBL28819164

SCHEMBL28819164

C1=Cc2cccc3cccc(c23)C1.Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RARA P10276 3/20 0.34
▸ RARB P10826 3/20 0.34
▸ RARG P13631 3/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ AKR1C4 P17516 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ SRD5A2 P31213 2/20 0.33

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
SCHEMBL27673211 0.85 MEN1 (0.49) PTPN1MEN1KMT2AALDH1A1HSD17B10
Terephthalic Acid SCHEMBL27585525 0.85 MEN1 (0.42) PTPN1MEN1KMT2AALDH1A1HSD17B10
Terephthalic Acid SCHEMBL27475251 0.85 MEN1 (0.42) PTPN1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL28819163 0.82 HSD17B10 (0.41) MEN1KMT2AALDH1A1HSD17B10CYP2C19
Benzoic Acid SCHEMBL28206140 0.81 DAO (0.42) MEN1KMT2AALDH1A1HSD17B10CYP2C19
SCHEMBL28249744 0.80 MEN1 (0.43) PTPN1MEN1KMT2AKDM4ESRD5A2
Acetic Acid SCHEMBL663243 0.79 CYP2C19 (0.40) MEN1KMT2AALDH1A1HSD17B10CYP2C19
Bicarbonate SCHEMBL27933722 0.79 TSHR (0.36) MEN1KMT2AALDH1A1HSD17B10CYP2C19
Oxalic Acid SCHEMBL27401043 0.77 CYP2C19 (0.35) MEN1KMT2AALDH1A1HSD17B10CYP2C19
Acetone SCHEMBL27616570 0.77 CYP2C19 (0.38) MEN1KMT2AALDH1A1HSD17B10CYP2C19

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
CN-104755524-A Epoxy compound, method for producing same, and curable epoxy resin composition DAICEL CORP 2015-07-01 — — CN disclosed
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