SCHEMBL8716631

SCHEMBL8716631

COc1ccccc1CC(C)C(N)C(O)c1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 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
SCHEMBL8716628 1.00 IDO1 (0.41) IDO1TAAR1KMT2ALMNASMN1; SMN2
SCHEMBL8716177 0.94 IDO1 (0.42) IDO1TAAR1KMT2ALMNASMN1; SMN2
SCHEMBL8716176 0.94 IDO1 (0.42) IDO1TAAR1KMT2ALMNASMN1; SMN2
SCHEMBL8714178 0.93 KMT2A (0.39) IDO1TAAR1KMT2ACYP2D6ADRA2A
SCHEMBL8714177 0.93 KMT2A (0.39) IDO1TAAR1KMT2ACYP2D6ADRA2A
SCHEMBL8716695 0.89 MPO (0.40) IDO1TAAR1KMT2ALMNASMN1; SMN2
SCHEMBL8716697 0.89 MPO (0.40) IDO1TAAR1KMT2ALMNASMN1; SMN2
SCHEMBL8719251 0.88 SLC6A2 (0.39) IDO1TAAR1KMT2ALMNASMN1; SMN2
SCHEMBL8720316 0.88 SLC6A2 (0.48) IDO1TAAR1KMT2ALMNASMN1; SMN2
SCHEMBL8719255 0.88 SLC6A2 (0.39) IDO1TAAR1KMT2ALMNASMN1; SMN2

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