SCHEMBL8716697

SCHEMBL8716697

COc1ccccc1CC(C)C(N)C(O)c1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.40
TSHR P16473 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40
IDO1 P14902 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 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
SCHEMBL8716695 1.00 MPO (0.40) MPOTSHRCA1CA2TP53
SCHEMBL8716177 0.92 IDO1 (0.42) IDO1TAAR1MAPTKMT2ALMNA
SCHEMBL8716176 0.92 IDO1 (0.42) IDO1TAAR1MAPTKMT2ALMNA
SCHEMBL8716628 0.89 IDO1 (0.41) IDO1TAAR1MAPTKMT2ALMNA
SCHEMBL8716631 0.89 IDO1 (0.41) IDO1TAAR1MAPTKMT2ALMNA
SCHEMBL8720316 0.86 SLC6A2 (0.48) IDO1TAAR1MAPTKMT2ALMNA
SCHEMBL8720314 0.86 SLC6A2 (0.48) IDO1TAAR1MAPTKMT2ALMNA
SCHEMBL8719251 0.86 SLC6A2 (0.39) IDO1TAAR1MAPTKMT2ALMNA
SCHEMBL8719255 0.86 SLC6A2 (0.39) IDO1TAAR1MAPTKMT2ALMNA
SCHEMBL8714178 0.83 KMT2A (0.39) IDO1TAAR1KMT2A

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