SCHEMBL9280704

SCHEMBL9280704

O=C(O)c1ccccc1N(CCO)CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.50
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 1/20 0.47
PABPC1 P11940 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL29948069 0.89 PTPN1 (0.48) PTPN1ALDH1A1ALOX15MEN1PABPC1
SCHEMBL290438 0.89 PTPN1 (0.48) PTPN1ALDH1A1ALOX15MEN1PABPC1
SCHEMBL7476350 0.85 ALDH1A1 (0.48) PTPN1ALDH1A1ALOX15KDM4ECA12
SCHEMBL7148421 0.84 PTPN1 (0.43) PTPN1ALDH1A1ALOX15MEN1PABPC1
SCHEMBL4086031 0.83 TP53 (0.52) PTPN1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL3691710 0.80 ALDH1A1 (0.55) ALDH1A1ALOX15MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL15209621 0.79 ALDH1A1 (0.53) ALDH1A1ALOX15MEN1KMT2AKDM4E
SCHEMBL3784268 0.79 ALDH1A1 (0.50) PTPN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5694170 0.79 PTPN1 (0.44) PTPN1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL1668024 0.78 TP53 (0.53) PTPN1ALDH1A1ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452774-B1 Graft copolymers containing perfluoroalkyl groups BAYER AG (DE) 1995-03-08 EP disclosed
US-5115013-A Oil repellent, water repellent finishes for textiles, carpets, leather, paper BAYER AKTIENGESELLSCHAFT (DE) 1992-05-19 US disclosed
EP-0452774-A2 Graft copolymers containing perfluoroalkyl groups BAYER AG (DE) 1991-10-23 EP disclosed
US-4728542-A POLYURETHANES; WATER VAPOR PERMEABLE COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1988-03-01 US disclosed