SCHEMBL31063409

SCHEMBL31063409

COC(=O)C(C)(C)CC=Cc1cc(F)c(OC)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TUBB1 Q9H4B7 5/20 0.39
▸ TNFRSF1A P19438 3/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ STAT3 P40763 2/20 0.37
▸ NFE2L2 Q16236 2/20 0.37
▸ PTGES O14684 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ KRAS P01116 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL31063244 0.81 TUBB1 (0.36) MAPTHPGDTUBB1TNFRSF1AMMP1
SCHEMBL31063184 0.79 TUBB1 (0.41) MAPTHPGDTUBB1TNFRSF1AALOX5
SCHEMBL31063064 0.76 TUBB1 (0.41) MAPTHPGDTUBB1TNFRSF1AALOX5
SCHEMBL31063001 0.72 MAPT (0.33) MAPTHPGDTUBB1MMP1MMP9
SCHEMBL31063471 0.71 CYP3A4 (0.51) HPGDTUBB1TNFRSF1AALOX5STAT3
SCHEMBL31063149 0.69 ALDH1A1 (0.47) MAPTHPGDTUBB1TNFRSF1ATUBB4A
SCHEMBL5759025 0.69 ALDH1A1 (0.47) MAPTHPGDTUBB1TNFRSF1ATUBB4A
SCHEMBL21767678 0.69 LY96 (0.46) MAPTMMP1MMP9MMP13NFE2L2
SCHEMBL21767676 0.69 LY96 (0.46) MAPTMMP1MMP9MMP13NFE2L2
SCHEMBL1797420 0.67 XDH (0.44) MAPTHPGDMMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 — — EP disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 — — WO disclosed
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