SCHEMBL8411705

SCHEMBL8411705

CC(Cc1ccccc1O)N(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.66
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
HSPA5 P11021 1/20 0.46
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
HTR1A P08908 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
AKR1B1 P15121 1/20 0.41
IDO1 P14902 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL28796414 0.82 P4HB (0.47) P4HBHTR2AHTR2CHTR2BHSPA5
SCHEMBL108067 0.79 GABRA1 (0.64) HSPA5POLBMAPK1TSHRCYP2D6
SCHEMBL15702021 0.78 P4HB (0.50) P4HBHTR2AHTR2CHTR2BCYP2D6
SCHEMBL13020024 0.78 P4HB (0.50) P4HBHTR2AHTR2CHTR2BCYP2D6
SCHEMBL536816 0.77 HSPA5 (0.52) HSPA5POLBMAPK1TSHRCYP2D6
SCHEMBL27513033 0.77 GABRA1 (0.61) HSPA5POLBMAPK1TSHRCYP2D6
SCHEMBL15701863 0.76 P4HB (0.49) P4HBHTR2AHTR2CHTR2BMAPK1
SCHEMBL11264459 0.76 P4HB (0.49) P4HBHTR2AHTR2CHTR2BMAOB
SCHEMBL11135844 0.76 TAAR1 (0.50) P4HBHTR2AHTR2CHTR2BTSHR
SCHEMBL27323217 0.76 P4HB (0.49) P4HBHTR2AHTR2CHTR2BTSHR

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-5869484-A TREATING DISEASES DERIVED BY ACETYLCHOLINE DEFICIENCY; ALZHEIMER*S DISEASE MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1999-02-09 US disclosed