SCHEMBL9103877

SCHEMBL9103877

CN(CCCNC(=O)CCN(CCC(=O)NCCCN(C)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
ESRRG P62508 3/20 0.42
BCHE P06276 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
GAA P10253 1/20 0.39
DNM1 Q05193 1/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC10 Q969S8 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
ESRRB O95718 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9101089 0.89 ALDH1A1 (0.43) USP2ESRRGMTNR1AMTNR1BALDH1A1
SCHEMBL9100817 0.81 HPGD (0.48) GAADNM1HSD17B10CA12CA1
SCHEMBL9099535 0.80 USP2 (0.57) USP2BCHEMTNR1AMTNR1BGAA
SCHEMBL9102402 0.79 USP2 (0.44) USP2BCHEGAAALDH1A1HSD17B10
SCHEMBL9101010 0.75 USP2 (0.47) USP2BCHEMTNR1AMTNR1BGAA
SCHEMBL1986412 0.71 GAA (0.57) GAADNM1HDAC1HDAC6HDAC8
SCHEMBL9103803 0.71 CYP1A1 (0.53) ESRRGGAAHDAC6ESRRBALDH1A1
SCHEMBL9549340 0.71 DNM1 (0.62) USP2BCHEGAADNM1
SCHEMBL2012086 0.71 ACKR3 (0.54) USP2BCHEMTNR1AMTNR1BGAA
SCHEMBL4861149 0.71 USP2 (0.57) USP2BCHEMTNR1AMTNR1BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474431-B1 Amphiphilic compounds for sequential monolayer deposition ICI PLC (GB) 1996-03-06 EP disclosed
US-5275924-A Non-centrosymmetric; hydrophobic; chromophores IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
EP-0474431-A1 Amphiphilic compounds for sequential monolayer deposition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed