SCHEMBL9575766

SCHEMBL9575766

O=[N+]([O-])c1cc(C(c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)ccc1NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.57
WNK1 Q9H4A3 2/20 0.57
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
LMNA P02545 5/20 0.54
MAPK1 P28482 3/20 0.54
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
GPR55 Q9Y2T6 1/20 0.47
POLB P06746 1/20 0.47
CRHBP P24387 1/20 0.47

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
SCHEMBL7185722 0.90 PKM (0.65) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL15828724 0.83 HCAR3 (0.61) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL9395556 0.80 HCAR3 (0.64) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL7191754 0.79 PKM (0.61) HCAR3WNK1ALDH1A1MAPTMAPK1
SCHEMBL7191751 0.79 PKM (0.61) HCAR3WNK1ALDH1A1MAPTMAPK1
SCHEMBL23786250 0.78 MAPT (0.69) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL8607686 0.78 MAPT (0.69) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL2687698 0.78 PKM (0.63) HCAR3WNK1ALDH1A1MAPTMAPK1
SCHEMBL1925077 0.77 HCAR3 (0.61) HCAR3WNK1ALDH1A1MAPTLMNA
SCHEMBL7178280 0.77 PKM (0.62) HCAR3WNK1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278414-B1 PROCESS FOR THE PREPARATION OF REACTION PRODUCTS OF 2,2-BIS (4-HYDROXYPHENYL) HEXAFLUOROPROPANE, AND THE DERIVATIVES OBTAINED HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP disclosed
US-5028728-A Process for the preparation of reaction products of 2,2-bis-(4-hydroxphenyl)-hexafluoropropane and new derivatives of this type HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0278414-A2 Process for the preparation of reaction products of 2,2-bis (4-hydroxyphenyl) hexafluoropropane, and the derivatives obtained HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP disclosed