SCHEMBL25900896

SCHEMBL25900896

CCc1ccccc1-c1cc2ccc(C(C)(C)CC(C)(C)O)cc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ CYP3A4 P08684 2/20 0.32
▸ HTR2C P28335 1/20 0.32

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
SCHEMBL23893552 0.82 PTPN1 (0.38) HDAC6NPC1MAPK1RAB9AATM
SCHEMBL23395690 0.81 HDAC6 (0.34) HDAC6NPC1RAB9ASLC9A1HIF1A
SCHEMBL30568046 0.78 SHBG (0.51) NPC1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL20473368 0.78 SHBG (0.51) NPC1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL27106348 0.76 MAOB (0.49) HDAC6SLC9A1MAOAMAOBCYP3A4
SCHEMBL26292203 0.76 HDAC6 (0.46) HDAC6SLC9A1MAOAMAOBCA12
SCHEMBL18015826 0.75 MAOB (0.57) HDAC6NPC1RAB9ASMN1; SMN2MAOA
SCHEMBL23395670 0.75 KLK7 (0.39) HDAC6NPC1LMNARAB9ASMN1; SMN2
SCHEMBL20473374 0.75 MAOB (0.46) HDAC6SLC9A1MAOAMAOBPTPN1
SCHEMBL30568042 0.75 MAOB (0.46) HDAC6SLC9A1MAOAMAOBPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 — — EP disclosed
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