SCHEMBL9328276

SCHEMBL9328276

Cc1cc(C(C)c2cc(C)cc(C(C)(C)C)c2OP(O)Cl)c(OP(O)Cl)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSPA5 P11021 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL9328172 0.85 CYP1A2 (0.35) CYP3A4CYP2C9CYP2C19
SCHEMBL9356115 0.85 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL9127086 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL9329816 0.77 HSPA5 (0.51) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL9328465 0.75 TYR (0.40) ALDH1A1TYRHIF1A
SCHEMBL9330473 0.74 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL225440 0.73 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29463589 0.73 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL3421497 0.72 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL8390711 0.72 CYP1A2 (0.36) CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357048-B1 Process for transhalogenating a halophosphorus compound with hydrogen fluoride ALBEMARLE CORP (US) 1994-09-28 EP disclosed
EP-0358985-B1 Method of transhalogenating a halophosphorus compound with fluoride ETHYL CORP (US) 1994-03-16 EP disclosed
EP-0312790-B1 Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORP (US) 1993-11-18 EP disclosed
US-5136075-A Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1992-08-04 US disclosed
US-5061818-A Fluorination with metal or ammonium fluoride in presence of pyridine halide salt ETHYL CORPORATION (US) 1991-10-29 US disclosed
US-5049691-A Process for transhalogenating a halophosphorous compound with anhydrous hydrogen fluoride ETHYL CORPORATION (US) 1991-09-17 US disclosed
US-4929745-A Transhalogenation of halophosphorus compounds EHTYL CORPORATION (US) 1990-05-29 US disclosed
US-4910324-A Using a metal or ammonium fluoride ETHYL CORPORATION (US) 1990-03-20 US disclosed