SCHEMBL19732872

SCHEMBL19732872

CCCCCCCC(=CC(=O)OC)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT2 O75908 1/20 0.56
▸ SOAT1 P35610 1/20 0.56
▸ ICMT O60725 2/20 0.52
▸ ALB P02768 2/20 0.52
▸ EPHX1 P07099 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ HDAC8 Q9BY41 6/20 0.47
▸ HDAC3 O15379 5/20 0.47
▸ HDAC6 Q9UBN7 4/20 0.47
▸ HDAC1 Q13547 4/20 0.47
▸ HDAC2 Q92769 4/20 0.47
▸ CNR1 P21554 2/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ TUBB4A P04350 2/20 0.45
▸ TUBB P07437 2/20 0.45
▸ TUBA3C P0DPH7 2/20 0.45
▸ TUBA1B P68363 2/20 0.45
▸ TUBA4A P68366 2/20 0.45
▸ TUBB4B P68371 2/20 0.45

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
SCHEMBL19751312 1.00 SOAT2 (0.56) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL30271651 1.00 SOAT2 (0.56) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL3974081 0.89 SOAT2 (0.53) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL3974083 0.89 SOAT2 (0.53) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL21065474 0.87 SOAT2 (0.59) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL21065463 0.87 SOAT2 (0.59) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL8410625 0.83 ALDH1A1 (0.47) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL8410623 0.83 ALDH1A1 (0.47) SOAT2SOAT1ICMTALBEPHX1
SCHEMBL23888833 0.82 THRA (0.47) EPHX1ALDH1A1CNR1
SCHEMBL23888832 0.82 THRA (0.47) EPHX1ALDH1A1CNR1

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-3475260-B1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR UNIV KONSTANZ (DE) 2022-03-30 — — EP disclosed
EP-3260445-A1 COMPOUNDS FOR USE AS AN ANTI-BACTERIAL OR ANTI-FUNGAL AGENT AND AS A ZINC SENSOR Universität Konstanz (DE) 2017-12-27 — — EP disclosed
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