Paraben

Paraben

SCHEMBL8993118

NCc1ccccc1.O=C(O)c1ccc(O)cc1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA3 P07451 1/20 0.61
TYR P14679 1/20 0.61
DRD1 P21728 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
ABAT P80404 1/20 0.56
SRD5A2 P31213 4/20 0.55
LOXL2 Q9Y4K0 1/20 0.54
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
LMNA P02545 1/20 0.53

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 SCHEMBL31728635 0.92 LOXL2 (0.64) SRD5A2LOXL2NR4A1NR4A2NR4A3
Benzoic Acid SCHEMBL5791057 0.88 LOXL2 (0.64) SRD5A2LOXL2NR4A1NR4A2NR4A3
Aminobenzoic Acid SCHEMBL8000099 0.85 TSHR (0.55) SRD5A2LOXL2NR4A1NR4A2NR4A3
Paraben SCHEMBL9244762 0.84 CA12 (0.67) CA12CA1CA2CA3TYR
Diphenylmethane SCHEMBL7835581 0.84 CA12 (0.67) CA12CA1CA2CA3TYR
Terephthalic Acid SCHEMBL9858389 0.84 LOXL2 (0.56) SRD5A2LOXL2NR4A1NR4A2NR4A3
Aminomethylbenzoic Acid SCHEMBL9344424 0.83 ALDH1A1 (0.60) CA12CA1CA2CA3TYR
Aminomethylbenzoic Acid SCHEMBL38758 0.83 ALDH1A1 (0.60) CA12CA1CA2CA3TYR
Paraben SCHEMBL27820033 0.82 CA12 (0.64) CA12CA1CA2CA3TYR
Benzoic Acid SCHEMBL10764505 0.82 LOXL2 (0.56) SRD5A2LOXL2NR4A2TSHRHSD17B10

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-0526486-B1 NON-LINEAR OPTICAL DEVICE SECR DEFENCE BRIT (GB) 1996-07-31 EP disclosed
US-5352388-A Crystalline second harmonic generator material comprising salt of organic nitrogenous base and optically active enantiomer of chiral carboxylic acid mounted in optical path of laser THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDON OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1994-10-04 US disclosed
EP-0526486-A1 NON-LINEAR OPTICAL DEVICE. SECR DEFENCE BRIT (GB) 1993-02-10 EP disclosed
WO-1991016657-A1 NON-LINEAR OPTICAL DEVICE THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-10-31 WO disclosed