SCHEMBL8492678

SCHEMBL8492678

CCCc1c(O)cc(OCc2ccccc2)c(-c2ccc(F)cc2)c1CC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 14/20 0.45
▸ LTB4R2 Q9NPC1 14/20 0.45
▸ MCL1 Q07820 1/20 0.40
▸ ERN1 O75460 1/20 0.39
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ BCHE P06276 1/20 0.38

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
SCHEMBL8496147 0.77 GCGR (0.47) LTB4RLTB4R2
SCHEMBL27463361 0.77 PTGER1 (0.44) LTB4RLTB4R2MCL1ERN1MGAM
SCHEMBL27300408 0.75 LTB4R (0.54) LTB4RLTB4R2MCL1
SCHEMBL4382835 0.71 CYP4F2 (0.43) MGAMGAASIMGAM2
SCHEMBL3201478 0.69 CNR1 (0.50) BCHE
SCHEMBL26823115 0.69 C5AR1 (0.49) MCL1BCHE
SCHEMBL13076466 0.68 BRD4 (0.56) MCL1
SCHEMBL2954865 0.68 KDM4E (0.48) ERN1GAA
SCHEMBL16797594 0.68 HTR1A (0.53) GAABCHE
SCHEMBL16056330 0.68 MRGPRX4 (0.50) —

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
US-5914340-A ADMINISTERING TO TREAT OR INHIBIT SKIN DISORDERS SUCH AS ATOPIC DERMATITIS, CONTACT DERMATITIS, BULLOUS PEMPHIGOID, URTICARIA DISEASES, PETYRIASIS RUBRA PILARIS AND DYSHEDROSIS ELI LILLY AND COMPANY (US) 1999-06-22 — — US disclosed
US-5910505-A Leukotriene antagonists for use in the treatment or inhibition of oral squamous cell carcinoma ELI LILLY AND COMPANY (US) 1999-06-08 — — US disclosed
US-5817684-A ADMINISTERING AN AROMATIC ALCOHOL COMPOUND ELI LILLY AND COMPANY (US) 1998-10-06 — — US disclosed
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