SCHEMBL10348291

SCHEMBL10348291

O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1.O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
BCL2L1 Q07817 1/20 0.60
BAD Q92934 1/20 0.60
TP53 P04637 1/20 0.60
RXRA P19793 7/20 0.59
RXRB P28702 6/20 0.59
ALOX15 P16050 1/20 0.54
SRD5A2 P31213 2/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50

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
SCHEMBL23630426 1.00 TSHR (0.60) TSHRBCL2L1BADTP53RXRA
SCHEMBL479950 0.92 TSHR (0.71) TSHRTP53RXRARXRBALOX15
Methane SCHEMBL241187 0.90 TSHR (0.67) TSHRTP53RXRARXRBALOX15
SCHEMBL10670934 0.89 ALDH1A1 (0.52) TSHRBCL2L1BADTP53RXRA
SCHEMBL727046 0.89 ALDH1A1 (0.52) TSHRBCL2L1BADTP53RXRA
Water SCHEMBL9342313 0.87 ALDH1A1 (0.50) TSHRBCL2L1BADTP53RXRA
Terephthalic Acid SCHEMBL9577834 0.87 TSHR (0.80) TSHRBCL2L1BADTP53RXRA
SCHEMBL2637326 0.87 TSHR (0.80) TSHRBCL2L1BADTP53RXRA
SCHEMBL69873 0.87 TSHR (0.80) TSHRBCL2L1BADTP53RXRA
SCHEMBL14018385 0.87 TSHR (0.80) TSHRBCL2L1BADTP53RXRA

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
EP-0119271-B1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS SRI INTERNATIONAL (US) 1990-07-11 EP claimed