SCHEMBL7602573

SCHEMBL7602573

CCCC(C)Oc1cc(C)c(C(=O)c2c(Cl)cccc2Cl)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.41
TAS1R1 Q7RTX1 6/20 0.41
RORC P51449 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LMNA P02545 1/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
DHODH Q02127 3/20 0.35
PPARG P37231 1/20 0.35
RAB9A P51151 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
NR1I2 O75469 3/20 0.35

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
SCHEMBL8466332 0.86 RORC (0.42) RORCCES2CES1LMNAPDE4B
SCHEMBL8466816 0.85 RORC (0.42) TAS1R3TAS1R1RORCCES2CES1
SCHEMBL6150594 0.84 CES2 (0.48) RORCCES2CES1LMNAPDE4D
SCHEMBL6149650 0.82 RORC (0.41) RORCCES2CES1LMNASMN1; SMN2
SCHEMBL8463650 0.81 PDE4B (0.43) RORCCES2CES1LMNAPDE4A
SCHEMBL6150752 0.81 TUBB4A (0.40) RORCCES2CES1LMNARAB9A
SCHEMBL8463397 0.81 TSHR (0.45) RORCCES2CES1LMNASMN1; SMN2
SCHEMBL8467299 0.81 HTT (0.41) RORCCES2CES1LMNASMN1; SMN2
SCHEMBL8466614 0.81 PDE4B (0.44) RORCCES2CES1LMNAPDE4A
SCHEMBL8466199 0.81 PDE4B (0.45) RORCCES2CES1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed