SCHEMBL11818005

SCHEMBL11818005

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
TPMT P51580 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRD5A2 P31213 2/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
TYR P14679 1/20 0.32
DRD1 P21728 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL2456547 0.77 TSHR (0.44) TSHRTP53TPMTALDH1A1MAPT
SCHEMBL10424970 0.72 TP53 (0.43) TSHRTP53ALDH1A1MAPTL3MBTL1
SCHEMBL175074 0.70 TSHR (0.44) TSHRTP53TPMTALDH1A1MAPT
SCHEMBL2456544 0.69 ELANE (0.36) ALDH1A1MAPTKMT2ACA1CA2
SCHEMBL673214 0.68 MAPT (0.45) TSHRTP53ALDH1A1MAPTSRD5A2
SCHEMBL7115499 0.68 TSHR (0.50) TSHRTP53TPMTALDH1A1MAPT
SCHEMBL351316 0.68 TSHR (0.50) TSHRTP53TPMTALDH1A1MAPT
Terephthalic Acid SCHEMBL10597108 0.68 TSHR (0.50) TSHRTP53TPMTALDH1A1L3MBTL1
SCHEMBL8650205 0.66 MAPT (0.46) TSHRTP53ALDH1A1MAPTL3MBTL1
SCHEMBL3720233 0.66 TP53 (0.39) TSHRTP53ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3963800-A Thermoplastically processable elastomeric copolyester BAYER AKTIENGESELLSCHAFT (DT) 1976-06-15 US disclosed