SCHEMBL9681086

SCHEMBL9681086

O=C(O)c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
TSHR P16473 3/20 0.67
TP53 P04637 1/20 0.67
FBP1 P09467 1/20 0.63
KMT2A Q03164 1/20 0.60
SRD5A2 P31213 1/20 0.57
HDAC1 Q13547 1/20 0.56
GLA P06280 1/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
RARA P10276 1/20 0.55
RARB P10826 1/20 0.55
RARG P13631 1/20 0.55
CA12 O43570 1/20 0.55
CA3 P07451 1/20 0.55
TYR P14679 1/20 0.55
DRD1 P21728 1/20 0.55

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
SCHEMBL69167 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53FBP1KMT2A
SCHEMBL9078494 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53FBP1KMT2A
SCHEMBL8653418 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53FBP1KMT2A
SCHEMBL2126364 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53FBP1KMT2A
SCHEMBL9339856 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53FBP1KMT2A
SCHEMBL9681088 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53FBP1KMT2A
SCHEMBL69166 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53FBP1KMT2A
SCHEMBL2615887 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTP53FBP1KMT2A
SCHEMBL28480911 0.97 ALDH1A1 (0.65) ALDH1A1TSHRTP53FBP1KMT2A
Hydrochloric Acid SCHEMBL994965 0.97 ALDH1A1 (0.65) ALDH1A1TSHRTP53FBP1KMT2A

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
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
EP-0391204-A2 Process for preparing moulded articles of polymers with E-configurated stilbene moieties BAYER AG (DE) 1990-10-10 EP disclosed