SCHEMBL8939030

SCHEMBL8939030

Cc1cc(C)c(C(=O)P(=O)(Oc2cc(C)ccc2C)c2ccccc2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP2C9 P11712 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
HCRTR1 O43613 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1A P35348 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 1/20 0.36
PPARA Q07869 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36

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
SCHEMBL8939019 0.91 HPGD (0.38) CYP2C9HTTMEN1KMT2AMAPT
SCHEMBL8939017 0.85 MAPT (0.37) TSHRCYP2C9LMNAMEN1KMT2A
SCHEMBL8938993 0.84 MEN1 (0.42) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL8938989 0.83 KMT2A (0.37) HTTLMNAMEN1KMT2AMAPT
SCHEMBL713632 0.83 HPGD (0.43) LMNAMEN1KMT2AHCRTR1HPGD
SCHEMBL8939023 0.81 HPGD (0.44) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL8938998 0.81 SMN1; SMN2 (0.36) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL8939000 0.81 ATM (0.39) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL710803 0.80 POLB (0.38) HTTLMNAMEN1KMT2AMAPT
SCHEMBL22172022 0.79 ABCB1 (0.36) HTTLMNAMEN1KMT2AMAPT

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-0600373-A1 Alkyl-arylesters of arylphosphonous acid process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-08 EP claimed
US-5498741-A Alkyl aryl arylphosphonites, process for the preparation thereof and use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed
EP-0600373-A1 Alkyl-arylesters of arylphosphonous acid process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-08 EP disclosed