SCHEMBL4357328

SCHEMBL4357328

O=C(O)c1ccc(C2CC=CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
AKR1C3 P42330 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SRD5A2 P31213 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CA3 P07451 1/20 0.38
TYR P14679 1/20 0.38
DRD1 P21728 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
Benzoic Acid SCHEMBL472075 0.90 AKR1C3 (0.47) TSHRCA1CA2CA12CA9
Bicarbonate SCHEMBL11313316 0.81 AKR1C3 (0.46) TP53AKR1C3ALDH1A1SMN1; SMN2
SCHEMBL2321634 0.78 TSHR (0.57) TSHRTP53CA1CA2CA12
SCHEMBL901209 0.78 TSHR (0.57) TSHRTP53CA1CA2CA12
SCHEMBL901207 0.78 TSHR (0.57) TSHRTP53CA1CA2CA12
SCHEMBL8288153 0.77 ESR2 (0.50) ALDH1A1ALOX15
SCHEMBL28304250 0.77 SLC18A3 (0.45) AKR1C3
Hydrochloric Acid SCHEMBL4290507 0.77 TSHR (0.55) TSHRTP53CA1CA2CA12
SCHEMBL35975 0.77 SLC18A3 (0.45) AKR1C3
Terephthalic Acid SCHEMBL5054081 0.76 TSHR (0.75) TSHRTP53CA1CA2CA12

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-1457511-B1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME MITSUI CHEMICALS INC (JP) 2009-07-15 EP disclosed
US-7345135-B2 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2008-03-18 US disclosed
US-20040191602-A1 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2004-09-30 US disclosed
EP-1457511-A1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-09-15 EP disclosed