SCHEMBL6667036

SCHEMBL6667036

O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1.[Mo]

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.75
TP53 P04637 1/20 0.75
BCL2L1 Q07817 1/20 0.71
BAD Q92934 1/20 0.71
SRD5A2 P31213 2/20 0.63
RXRA P19793 4/20 0.62
RXRB P28702 4/20 0.62
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
CA3 P07451 1/20 0.60
TYR P14679 1/20 0.60
DRD1 P21728 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
CA5B Q9Y2D0 1/20 0.60

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
SCHEMBL2637326 0.97 TSHR (0.80) TSHRTP53BCL2L1BADSRD5A2
Terephthalic Acid SCHEMBL9577834 0.97 TSHR (0.80) TSHRTP53BCL2L1BADSRD5A2
SCHEMBL69873 0.97 TSHR (0.80) TSHRTP53BCL2L1BADSRD5A2
SCHEMBL14018385 0.97 TSHR (0.80) TSHRTP53BCL2L1BADSRD5A2
SCHEMBL12987957 0.94 TSHR (0.75) TSHRTP53BCL2L1BADSRD5A2
Fluoride SCHEMBL20513068 0.94 TSHR (0.75) TSHRTP53BCL2L1BADSRD5A2
Hydrochloric Acid SCHEMBL10348293 0.94 TSHR (0.75) TSHRTP53BCL2L1BADSRD5A2
SCHEMBL21808797 0.94 TSHR (0.75) TSHRTP53BCL2L1BADSRD5A2
Water SCHEMBL22788424 0.94 TSHR (0.75) TSHRTP53BCL2L1BADSRD5A2
Bromide SCHEMBL11353106 0.94 TSHR (0.75) TSHRTP53BCL2L1BADSRD5A2

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-0727608-B1 Gas storage apparatus, gaseous fuel automobile using the gas storage apparatus, gas storage method and methane adsorbing-retaining agent OSAKA GAS CO LTD (JP) 2004-09-01 EP disclosed
US-5998647-A BIPHENYL DICARBOXYLIC ACID COPPER COMPLEX OSAKA GAS CO., LTD. (JP) 1999-12-07 US disclosed
US-5862796-A Gas storage apparatus, gaseous fuel automobile using the gas storage apparatus, gas storage method and methane adsorbing-retaining agent OSAKA GAS CO., LTD. (JP) 1999-01-26 US disclosed
EP-0727608-A2 Gas storage apparatus, gaseous fuel automobile using the gas storage apparatus, gas storage method and methane adsorbing-retaining agent OSAKA GAS CO., LTD. (JP) 1996-08-21 EP disclosed