SCHEMBL11208138

SCHEMBL11208138

CCP(CC)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CYP2A6 P11509 1/20 0.42
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HTT P42858 1/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
IDO1 P14902 2/20 0.35
GSK3B P49841 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALOX15 P16050 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL11212673 0.95 LMNA (0.38) LMNACYP2A6HDAC3HDAC1HDAC2
SCHEMBL6931661 0.86
SCHEMBL11604805 0.79 LMNA (0.42) LMNACYP2A6HDAC3HDAC1HDAC2
SCHEMBL9579813 0.77 SMN1; SMN2 (0.40) LMNACYP2A6HDAC3HDAC1HDAC2
SCHEMBL7557896 0.76 ACHE (0.44) LMNACYP2A6HTTCES2CES1
SCHEMBL2546807 0.75 SMN1; SMN2 (0.43) LMNAHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL11202847 0.74 CYP2A6 (0.42) CYP2A6HDAC3HDAC1HDAC2HTT
SCHEMBL10764615 0.74 ESR1 (0.48) LMNAALDH1A1TSHRKDM4EMAPT
SCHEMBL22620880 0.74 MEN1 (0.42) LMNAALDH1A1TSHRKDM4EMAPT
SCHEMBL11312850 0.74 ALDH1A1 (0.44) LMNACYP2A6IDO1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003897-B1 PHOSPHINEGOLD(I)SALTS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1983-05-25 EP disclosed
US-4257973-A USING ORGANOPHOSPHORUS-PALLADIUM HALIDE COORDINATION CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US disclosed
EP-0003897-A1 Phosphinegold(I)salts, process for their preparation and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-09-05 EP disclosed
US-4133952-A Process and intermediate for preparing auranofin SMITHKLINE CORPORATION (US) 1979-01-09 US disclosed
US-4096250-A ANTI-ARTHRITIC SMITHKLINE CORPORATION (US) 1978-06-20 US disclosed
US-3966595-A REVERSE OSMOSIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-29 US disclosed