SCHEMBL10801821

SCHEMBL10801821

COc1ccc(-c2ccc(-c3cccc(F)c3)cc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.52
▸ ABL1 P00519 2/20 0.50
▸ ABCB1 P08183 2/20 0.50
▸ BCR P11274 2/20 0.50
▸ NFE2L2 Q16236 2/20 0.49
▸ RELA Q04206 1/20 0.49
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46
▸ TUBA1C Q9BQE3 1/20 0.46
▸ TUBB6 Q9BUF5 1/20 0.46
▸ TUBB2B Q9BVA1 1/20 0.46

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
SCHEMBL30979899 0.88 ABL1 (0.63) PTGS1ABL1ABCB1BCRNFE2L2
SCHEMBL1514434 0.88 ABL1 (0.63) PTGS1ABL1ABCB1BCRNFE2L2
SCHEMBL10800839 0.84 ABL1 (0.50) ABL1ABCB1BCRNFE2L2SYK
SCHEMBL10802577 0.82 ABL1 (0.61) ABL1ABCB1BCRBACE1HDAC4
SCHEMBL8218517 0.80 MDM2 (0.51) PTGS1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL15624598 0.78 NFE2L2 (0.59) PTGS1ABL1ABCB1BCRNFE2L2
SCHEMBL1816063 0.78 CYP1A1 (0.54) PTGS1NFE2L2RELATUBB4ATUBB
SCHEMBL1615072 0.77 ABL1 (0.63) ABL1ABCB1BCRBACE1CYP1A1
SCHEMBL16428843 0.77 CYP1A1 (0.53) PTGS1NFE2L2RELATUBB4ATUBB
SCHEMBL20886677 0.76 APP (0.56) ABL1ABCB1BCRBACE1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0130045-B1 TERPHENYL DERIVATIVES ELI LILLY AND COMPANY (US) 1987-01-21 — — EP claimed
EP-0130045-A1 Terphenyl derivatives ELI LILLY AND COMPANY (US) 1985-01-02 — — EP claimed
EP-0130045-B1 TERPHENYL DERIVATIVES ELI LILLY AND COMPANY (US) 1987-01-21 — — EP disclosed
US-4495202-A ANALGESICS; ANTIPYRETICS; ANTICOAGULANTS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1985-01-22 — — US disclosed
EP-0130045-A1 Terphenyl derivatives ELI LILLY AND COMPANY (US) 1985-01-02 — — EP disclosed
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