SCHEMBL2275985

SCHEMBL2275985

CC(=C=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
TP53 P04637 1/20 0.57
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SRD5A2 P31213 4/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
TYR P14679 1/20 0.48
DRD1 P21728 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL5828005 0.80 CES1 (0.48) TSHRALDH1A1SMN1; SMN2CA1CA2
Terephthalic Acid SCHEMBL28358071 0.79 TSHR (0.80) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL123278 0.79 TSHR (0.80) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL8209798 0.79 TSHR (0.80) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL29151767 0.79 TSHR (0.92) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL23879907 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2SRD5A2HPGDTDP1
Terephthalic Acid SCHEMBL8210119 0.76 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL28240782 0.76 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL5706612 0.76 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL11416580 0.76 TSHR (0.86) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710151-B2 Onium salt-containing polymer NIPPON SODA CO., LTD. (JP) 2014-04-29 US disclosed
US-20110201759-A1 ONIUM SALT-CONTAINING POLYMER NIPPON SODA CO., LTD. (JP) 2011-08-18 US disclosed
EP-2226343-A1 ONIUM SALT-CONTAINING POLYMER Nippon Soda Co., Ltd. (JP) 2010-09-08 EP disclosed