SCHEMBL8936022

SCHEMBL8936022

CCC(CC)(c1ccc(C#N)cc1)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.53
EPHX2 P34913 1/20 0.42
KIF11 P52732 2/20 0.42
CYP2A6 P11509 2/20 0.41
MMP2 P08253 1/20 0.41
CYP19A1 P11511 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.38
MLYCD O95822 1/20 0.37
CA2 P00918 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GSK3B P49841 1/20 0.36
ABCC9 O60706 1/20 0.35
KCNJ11 Q14654 1/20 0.35

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
SCHEMBL7870277 0.85 PGK1 (0.44) PTPN5MEN1KMT2APTPN1ALDH1A1
SCHEMBL9803917 0.81 PTPN5 (0.48) PTPN5KIF11PTPN1GSK3B
SCHEMBL5859053 0.80 PTPN5 (0.46) PTPN5PTPN1
SCHEMBL2382743 0.78 TSHR (0.43) PTPN5ALDH1A1CA12CA1
SCHEMBL8470305 0.78 PGK1 (0.39) PTPN5MEN1KMT2APTPN1ALDH1A1
SCHEMBL9512854 0.78 PTPN5 (0.35) PTPN5KIF11PTPN1
SCHEMBL1353298 0.77 PGK1 (0.47) PTPN5KIF11MMP2MEN1KMT2A
SCHEMBL2030830 0.77 FDPS (0.47) PTPN5EPHX2ALDH1A1
SCHEMBL1354398 0.77 MEN1 (0.42) PTPN5CYP19A1MEN1KMT2AALDH1A1
SCHEMBL17311345 0.77 PGK1 (0.38) PTPN5PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118434796-A Composition for polyurethane foam, foam prepared therefrom and method thereof 迈图高新材料公司 2024-08-02 CN claimed
CN-118434796-A Composition for polyurethane foam, foam prepared therefrom and method thereof 迈图高新材料公司 2024-08-02 CN disclosed
EP-2931832-B1 COMPOSITION FOR FIDUCIARY USE AND SECURITY DOCUMENT USING SAME OBERTHUR FIDUCIAIRE SAS (FR) 2018-10-17 EP disclosed
EP-2931832-A1 COMPOSITION FOR FIDUCIARY USE AND SECURITY DOCUMENT USING SAME Oberthur Fiduciaire SAS (FR) 2015-10-21 EP disclosed
WO-2014090995-A1 COMPOSITION FOR FIDUCIARY USE AND SECURITY DOCUMENT USING SAME OBERTHUR FIDUCIAIRE SAS (FR) 2014-06-19 WO disclosed
US-5565191-A SUNSCREEN AGENTS 3V INC. (US) 1996-10-15 US disclosed
US-5466687-A Anticholesterol agents DR. KARL THOMAE GMBH (DE) 1995-11-14 US disclosed
EP-0658341-A1 Cosmetic and dermatological compositions for the protection against UV radiation containing stilbene derivatives 3V SIGMA S.p.A (IT) 1995-06-21 EP disclosed
US-5072016-A MIXTURES OF FLUORESCENT WHITENING AGENTS CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
EP-0411103-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK PATENT GmbH (DE) 1991-02-06 EP disclosed
WO-1990009616-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed
US-4891153-A Mixtures of fluorescent whitening agents CIBA-GEIGY CORPORATION (US) 1990-01-02 US disclosed
US-4867906-A Mixtures of fluorescent whitening agents CIBA-GEIGY CORPORATION (US) 1989-09-19 US disclosed
US-4778622-A Mixtures of fluorescent whitening agents CIBA-GEIGY CORPORATION (US) 1988-10-18 US disclosed
EP-0238446-A1 Mixtures of optical brighteners CIBA-GEIGY AG (CH) 1987-09-23 EP disclosed