SCHEMBL9480700

SCHEMBL9480700

[CH2][n+]1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
NAPRT Q6XQN6 2/20 0.50
DAO P14920 1/20 0.50
SRD5A2 P31213 4/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL14075457 0.77 TSHR (0.52) TSHRTP53NAPRTDAOSRD5A2
SCHEMBL13396617 0.76 TSHR (0.58) TSHRTP53NAPRTDAOSRD5A2
SCHEMBL1270758 0.74 MEN1 (0.56) TSHRTP53NAPRTDAOSRD5A2
SCHEMBL12160935 0.74 TSHR (0.55) TSHRTP53NAPRTDAOSRD5A2
Terephthalic Acid SCHEMBL1194495 0.74 TSHR (0.86) TSHRTP53NAPRTDAOSRD5A2
Terephthalic Acid SCHEMBL210852 0.74 TSHR (0.86) TSHRTP53NAPRTDAOSRD5A2
Terephthalic Acid SCHEMBL17628648 0.74 TSHR (0.86) TSHRTP53NAPRTDAOSRD5A2
Terephthalic Acid SCHEMBL28902200 0.74 TSHR (0.86) TSHRTP53NAPRTDAOSRD5A2
Terephthalic Acid SCHEMBL28397286 0.74 TSHR (0.86) TSHRTP53NAPRTDAOSRD5A2
Terephthalic Acid SCHEMBL5082394 0.74 TSHR (0.86) TSHRTP53NAPRTDAOSRD5A2

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-0346465-B1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed
US-5225406-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 US disclosed
EP-0346465-A1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 EP disclosed