SCHEMBL8610596

SCHEMBL8610596

CCc1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.67
LTB4R Q15722 15/20 0.60
LTB4R2 Q9NPC1 15/20 0.60
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HTR2B P41595 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
Ly-255283 SCHEMBL4562255 0.89 NR1H4 (0.69) NR1H4LTB4RLTB4R2MEN1ALDH1A1
SCHEMBL7646400 0.87 LTB4R (0.71) NR1H4LTB4RLTB4R2
SCHEMBL7646883 0.85 LTB4R (0.73) NR1H4LTB4RLTB4R2
SCHEMBL7699998 0.84 NR1H4 (0.48) NR1H4LTB4RLTB4R2MEN1ALDH1A1
SCHEMBL9417960 0.84 NR1H4 (0.63) NR1H4LTB4RLTB4R2MEN1ALDH1A1
SCHEMBL9431167 0.80 NR1H4 (1.00) NR1H4LTB4RLTB4R2MEN1ALDH1A1
SCHEMBL9417870 0.79 NR1H4 (0.46) NR1H4LTB4RLTB4R2MEN1ALDH1A1
SCHEMBL7643504 0.77 LTB4R (0.63) LTB4RLTB4R2
SCHEMBL8565284 0.74 NR1H4 (0.56) NR1H4LTB4RLTB4R2
SCHEMBL8566671 0.73 LTB4R (0.56) NR1H4LTB4RLTB4R2

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-5563164-A TREATING ARTHRITIS, PSORIASIS, ASTHMA, INFLAMMATORY BOWEL DISEASE, OR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-10-08 US claimed
US-5478857-A Administering inhibitor of phospholipase A2 ELI LILLY AND COMPANY (US) 1995-12-26 US claimed
EP-0735870-A4 USE OF PLA 2? INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE LILLY CO ELI (US) 1998-08-19 EP disclosed
EP-0735870-A1 USE OF PLA 2? INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-10-09 EP disclosed
US-5563164-A TREATING ARTHRITIS, PSORIASIS, ASTHMA, INFLAMMATORY BOWEL DISEASE, OR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
US-5478857-A Administering inhibitor of phospholipase A2 ELI LILLY AND COMPANY (US) 1995-12-26 US disclosed
WO-1995017183-A1 USE OF PLA2 INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1995-06-29 WO disclosed
US-5294613-A Benzene derivatives of p-substituted ether and acid or ester ELI LILLY AND COMPANY (US) 1994-03-15 US disclosed
US-5098613-A Aromatic ethers for treatment of mammals ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
US-4945099-A LEUKOTRIENE ANTAGONIST ELI LILLY AND COMPANY (US) 1990-07-31 US disclosed