SCHEMBL7222876

SCHEMBL7222876

COc1ccc(C(c2ccc(OC(C)N3CCCC3)c(C)c2)c2cccc3c2CCCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
P4HB P07237 2/20 0.35
SMAD3 P84022 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
P2RX7 Q99572 2/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
Hydrochloric Acid SCHEMBL7221116 0.88 NPBWR1 (0.37) PKMP4HBSMAD3L3MBTL1NPBWR1
SCHEMBL7221485 0.83 KDM4E (0.37) PKMP4HBSMAD3L3MBTL1P2RX7
Hydrochloric Acid SCHEMBL7229127 0.83 KDM4E (0.37) PKMP4HBSMAD3L3MBTL1NPBWR1
SCHEMBL7222878 0.81 SMN1; SMN2 (0.46) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL7221674 0.78 BCL2L1 (0.39) PKMP4HBSMAD3L3MBTL1NPBWR1
SCHEMBL7229703 0.76 UGCG (0.39) HTR1AHTR1DPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL7228986 0.76 UGCG (0.39) POLBALDH1A1MEN1KMT2AATM
SCHEMBL7223901 0.76 UGCG (0.39) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL7228433 0.74 BCL2L1 (0.41) L3MBTL1NPBWR1MCHR1ALDH1A1MAPT
SCHEMBL7221784 0.73 LTA4H (0.55) POLBALDH1A1MAPTMEN1KMT2A

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-6610705-B1 Treating breast cancer, osteoporosis, hypercholesteremia or endometriosis COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-08-26 US disclosed