SCHEMBL9330485

SCHEMBL9330485

Cc1ccc(C(C)(OP(=O)(O)Cl)c2ccc(C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.33
PTPN1 P18031 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HSPA5 P11021 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9330560 0.84 ALDH1A1 (0.34) ALDH1A1CA2POLBSMN1; SMN2LMNA
SCHEMBL9330522 0.73 ALDH1A1 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
Phosphoric Acid SCHEMBL27502997 0.71 SMN1; SMN2 (0.41) MRGPRX4ALDH1A1CA2POLBTYR
SCHEMBL9328289 0.71 SMN1; SMN2 (0.37) MRGPRX4ALDH1A1CA2POLBTYR
SCHEMBL17594923 0.71 SMN1; SMN2 (0.50) MRGPRX4ALDH1A1CA2POLBTYR
SCHEMBL4447592 0.70 ALDH1A1 (0.35) ALDH1A1CA2SMN1; SMN2LMNAPTGS2
SCHEMBL4443731 0.70 ALDH1A1 (0.35) ALDH1A1CA2SMN1; SMN2LMNAPTGS2
SCHEMBL4443601 0.70 ALDH1A1 (0.35) ALDH1A1CA2SMN1; SMN2LMNAPTGS2
SCHEMBL4451524 0.70 ALDH1A1 (0.35) ALDH1A1CA2SMN1; SMN2LMNAPTGS2
SCHEMBL10447765 0.70 ACLY (0.33) ALDH1A1POLBLMNAPTGS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0358985-A1 Method of transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1990-03-21 EP disclosed
US-4910324-A Using a metal or ammonium fluoride ETHYL CORPORATION (US) 1990-03-20 US disclosed
EP-0312790-A2 Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1989-04-26 EP disclosed