SCHEMBL9330522

SCHEMBL9330522

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
HMGCR P04035 2/20 0.31
PTPN1 P18031 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
TSHR P16473 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
SCHEMBL4447604 0.87 ALDH1A1 (0.34) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL4453671 0.87 ALDH1A1 (0.34) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL10338846 0.73 ALDH1A1 (0.32) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL2334334 0.73 TRPV1 (0.34) ALDH1A1CA2MAPTL3MBTL1LMNA
SCHEMBL9330485 0.73 MRGPRX4 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL9329822 0.73 ALDH1A1 (0.35) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL1132180 0.72 TRPV1 (0.34) ALDH1A1MAPTL3MBTL1LMNAHMGCR
SCHEMBL22100 0.72 TRPV1 (0.34) ALDH1A1MAPTL3MBTL1LMNAHMGCR
SCHEMBL888650 0.72 TRPV1 (0.34) ALDH1A1MAPTL3MBTL1LMNAHMGCR
SCHEMBL9660052 0.72 TRPV1 (0.34) ALDH1A1MAPTL3MBTL1LMNAHMGCR

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 7 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
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