SCHEMBL11297147

SCHEMBL11297147

CCOC(=O)CN(C(=O)c1cc(C)cc(C(C)(C)C)c1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.37
▸ HCRTR2 O43614 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ F10 P00742 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
SCHEMBL11302453 0.88 HDAC8 (0.37) HDAC8RXRARXRBABCB1HPGD
SCHEMBL11293873 0.88 TAS1R3 (0.38) MAPTABCB1HPGDTSHR
SCHEMBL11304921 0.80 HDAC8 (0.46) HDAC8MAPTLMNASMN1; SMN2HPGD
SCHEMBL11300475 0.79 HDAC8 (0.34) HDAC8LMNATSHR
SCHEMBL11296873 0.78 TDP1 (0.52) MAPTLMNASMN1; SMN2HPGDTSHR
SCHEMBL11211541 0.78 SLC6A2 (0.39) MAPTABCB1HPGDTSHRF10
SCHEMBL11407028 0.76 TP53 (0.39) MAPTLMNASMN1; SMN2ABCB1HPGD
SCHEMBL11398910 0.76 SMN1; SMN2 (0.51) LMNASMN1; SMN2HPGDTSHR
SCHEMBL11295563 0.76 HDAC8 (0.33) HDAC8
SCHEMBL11298187 0.75 TAS1R3 (0.40) LMNAHPGDTSHR

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-4261732-A Alkyl and alkoxyalkyl N-3-alkyl and N-3,5-dialkylbenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1981-04-14 — — US disclosed
Send feedback