SCHEMBL28909356

SCHEMBL28909356

[CH2]C(O)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
TP53 P04637 2/20 0.50
SRD5A2 P31213 3/20 0.44
MAPT P10636 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL27337854 0.85 TSHR (0.61) TSHRTP53MAPTPDCD1CD274
SCHEMBL9562944 0.83 TSHR (0.55) TSHRTP53SRD5A2MAPTCA1
SCHEMBL902823 0.79 CA1 (0.52) TSHRTP53SRD5A2MAPTCA1
SCHEMBL175074 0.79 TSHR (0.44) TSHRTP53SRD5A2MAPTCA1
SCHEMBL15270927 0.77 TSHR (0.52) TSHRTP53SRD5A2MAPTCA1
SCHEMBL6228537 0.77 CA1 (0.70) TSHRTP53MAPTCA1CA2
SCHEMBL27832016 0.76 MAPT (0.49) TSHRTP53SRD5A2MAPTCA1
SCHEMBL8677799 0.76 TSHR (0.46) TSHRTP53SRD5A2MAPTCA1
SCHEMBL2160586 0.75 MAPT (0.56) TSHRTP53MAPTCA1CA2
Terephthalic Acid SCHEMBL28655741 0.74 TSHR (0.92) TSHRTP53SRD5A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112538662-B High-elasticity moisture-absorption antistatic PTT/PET composite fiber and preparation method thereof 江苏新视界先进功能纤维创新中心有限公司 2022-03-15 CN disclosed
CN-112538662-A High-elasticity moisture-absorption antistatic PTT/PET composite fiber and preparation method thereof 江苏新视界先进功能纤维创新中心有限公司 2021-03-23 CN disclosed