SCHEMBL11879900

SCHEMBL11879900

Nc1cccc(N(CCC(=O)O)CCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ PBRM1 Q86U86 1/20 0.41
▸ DDX3X O00571 1/20 0.41
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MME P08473 1/20 0.39
▸ CPN1 P15169 1/20 0.38
▸ CPB2 Q96IY4 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
SCHEMBL16617204 0.91 ALDH1A1 (0.44) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15264207 0.82 SRC (0.44) FFAR1THRATHRBALDH1A1CYP3A4
SCHEMBL8740013 0.81 ALDH1A1 (0.55) FFAR1THRATHRBALDH1A1CYP3A4
SCHEMBL2808540 0.79 PTPN1 (0.46) ALDH1A1LMNAPTPN1
SCHEMBL2808504 0.79 RAB9A (0.46) FFAR1ALDH1A1CYP3A4LMNACYP2D6
SCHEMBL22716240 0.79 FOLH1 (0.39) FFAR1HDAC1HDAC2THRATHRB
SCHEMBL29415443 0.79 RAB9A (0.46) FFAR1ALDH1A1CYP3A4LMNACYP2D6
SCHEMBL2804456 0.79 SMN1; SMN2 (0.47) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL94021 0.78 CYP3A4 (0.42) ALDH1A1NPSR1CYP3A4CASP1RECQL
SCHEMBL29375628 0.78 CYP3A4 (0.42) ALDH1A1NPSR1CYP3A4CASP1RECQL

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
US-3964862-A Process for dyeing and printing textile materials of synthetic organic fibers CIBA-GEIGY AG (CH) 1976-06-22 — — US disclosed
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