SCHEMBL11468496

SCHEMBL11468496

COC(=O)CC1=Cc2ccc(OC(F)F)cc2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.41
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
ALOX15 P16050 1/20 0.38
GFER P55789 1/20 0.38
ADAM17 P78536 1/20 0.38
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL11467625 0.77 MCHR1 (0.39) MCHR1GFERLMNAMEN1KMT2A
SCHEMBL7305935 0.76 MTNR1A (0.43) MCHR1CYP11B1CYP11B2POLBMAPT
SCHEMBL14454771 0.76 MCHR1 (0.49) MCHR1NPC1RAB9AHTR2C
SCHEMBL11479617 0.75 ALOX15 (0.38) ALOX15GFERADAM17ATMLMNA
SCHEMBL11469458 0.75 CYP11B1 (0.48) MCHR1S1PR1S1PR3CYP11B1CYP11B2
SCHEMBL636380 0.72 MCHR1 (0.45) MCHR1CYP11B1CYP11B2POLB
SCHEMBL11459008 0.72 CFTR (0.39) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL11467650 0.72 LMNA (0.37) MCHR1LMNAMEN1KMT2AHTT
SCHEMBL11462536 0.72 PTGS2 (0.38) ALOX15GFERADAM17ATMCYP11B1
SCHEMBL7075587 0.71 PPARG (0.44) MCHR1MEN1KMT2ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed