SCHEMBL9406265

SCHEMBL9406265

CCCCCCCCOc1ccc(OC(=O)c2ccc(CCCCC)cc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.51
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
RARB P10826 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PLA2G4B P0C869 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL9641396 0.97 RARB (0.53) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9640193 0.97 RARB (0.53) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL20594544 0.93 FAAH (0.54) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9405912 0.93 FAAH (0.54) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9641000 0.92 THRA (0.52) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9640136 0.92 THRA (0.52) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9641064 0.92 THRA (0.52) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9641031 0.92 THRA (0.52) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9641455 0.92 THRA (0.52) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9641009 0.92 THRA (0.52) FAAHNPC1LMNASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
US-5248447-A 2,3-difluorohydroquinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-28 US disclosed
EP-0362318-B1 2,3-DIFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-08-04 EP disclosed
US-5204019-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
EP-0332007-B1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK PATENT GmbH (DE) 1992-11-25 EP disclosed
EP-0373186-A1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK PATENT GmbH (DE) 1990-06-20 EP disclosed
EP-0362318-A1 2,3-DIFLUOROBIPHENYLS. MERCK PATENT GMBH (DE) 1990-04-11 EP disclosed
WO-1989008687-A1 2,3-DIFLUOROBIPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008637-A1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0332007-A1 Derivatives of 2,3-difluorohydroquinone MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed