SCHEMBL28760415

SCHEMBL28760415

CC(C)=CCCC(C)(O)C1Cc2c(ccc(C(C=O)=CCc3ccc(O)cc3)c2O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MGAM O43451 1/20 0.45
▸ SI P14410 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45
▸ CYP19A1 P11511 4/20 0.38
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 1/20 0.36
▸ TUBA1A Q71U36 1/20 0.36
▸ TUBA1C Q9BQE3 1/20 0.36
▸ TUBB6 Q9BUF5 1/20 0.36
▸ TUBB2B Q9BVA1 1/20 0.36

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
SCHEMBL4479470 0.80 PTPN1 (0.48) PTPN1GAAMGAMSIMGAM2
SCHEMBL4479473 0.80 PTPN1 (0.48) PTPN1GAAMGAMSIMGAM2
SCHEMBL29435848 0.64 BACE1 (0.47) PTPN1GAACYP19A1MAPK1KMT2A
SCHEMBL30457085 0.63 CTSK (0.49) PTPN1GAAMGAMSIMGAM2
SCHEMBL14533455 0.60 PTPN1 (0.48) PTPN1GAAMGAMCYP19A1MAPK1
SCHEMBL27925921 0.60 ESR1 (0.50) GAACYP19A1MAPK1KMT2AMEN1
SCHEMBL1153975 0.58 MAOA (0.50) PTPN1CYP19A1MAPTPTGS2ESR1
SCHEMBL27662689 0.58 PTPN1 (0.37) PTPN1GAACYP19A1MAPK1KMT2A
SCHEMBL30419021 0.58 ALOX15 (0.46) PTPN1GAAMGAMSIMGAM2
SCHEMBL6784264 0.58 NQO2 (0.49) PTPN1KMT2AMEN1CYP3A4MAPT

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
CN-1816328-A Therapeutic agent TAKARA BIO INC (JP) 2006-08-09 — — CN claimed
CN-1816328-A Therapeutic agent TAKARA BIO INC (JP) 2006-08-09 — — CN disclosed
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