SCHEMBL18400201

SCHEMBL18400201

BC(=O)c1ccccc1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
METAP1 P53582 1/20 0.42
GAA P10253 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL7540602 0.87 KDM4E (0.55) RXFP1LMNAPOLBKDM4EALDH1A1
SCHEMBL12292165 0.86 RXFP1 (0.53) RXFP1LMNAPOLBIDO1KDM4E
SCHEMBL29702265 0.85 RXFP1 (0.55) RXFP1LMNAPOLBKDM4EKMT2A
SCHEMBL15368377 0.85 RXFP1 (0.59) RXFP1LMNAPOLBIDO1KMT2A
SCHEMBL222446 0.85 RXFP1 (0.55) RXFP1LMNAPOLBKDM4EKMT2A
SCHEMBL29992092 0.85 RXFP1 (0.59) RXFP1LMNAPOLBIDO1KMT2A
SCHEMBL29663621 0.85 RXFP1 (0.55) RXFP1LMNAPOLBIDO1KDM4E
SCHEMBL2880191 0.84 LMNA (0.54) RXFP1LMNAPOLBALDH1A1KMT2A
SCHEMBL1542029 0.84 RXFP1 (0.54) RXFP1LMNAPOLBIDO1KDM4E
SCHEMBL9330701 0.84 KMT2A (0.61) RXFP1LMNAPOLBKDM4EALDH1A1

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-9549923-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of hydrocodone, prodrugs, methods of making and uses thereof KEMPHARM, INC. (US) 2017-01-24 US disclosed