SCHEMBL8717467

SCHEMBL8717467

COc1ccccc1CC(C)(C[C@H](N)O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
IDO1 P14902 2/20 0.37

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
SCHEMBL8720042 0.90 IDO1 (0.41) MEN1KMT2ALMNAALDH1A1IDO1
SCHEMBL8713551 0.89 KIF11 (0.38) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8715312 0.88 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1GRIN2B
SCHEMBL8714402 0.87 KCNH2 (0.38) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8720152 0.87 MEN1 (0.39) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8716588 0.84 SLC6A2 (0.39) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8716595 0.83 PPARG (0.38) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8719259 0.82 NR3C1 (0.39) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL8716180 0.82 IDO1 (0.41) MEN1KMT2ALMNAALDH1A1IDO1
SCHEMBL8717145 0.81 SMN1; SMN2 (0.40) MEN1KMT2ALMNAIDO1TAAR1

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed