SCHEMBL15048640

SCHEMBL15048640

C=CCc1ccccc1OC(=O)CC(C(=O)Oc1ccccc1CC=C)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.41
ADRB1 P08588 3/20 0.41
LMNA P02545 3/20 0.41
HTR1A P08908 3/20 0.41
ADRA2C P18825 2/20 0.41
ADRB3 P13945 1/20 0.41
SLC6A2 P23975 1/20 0.41
BDKRB2 P30411 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
KDM4E B2RXH2 3/20 0.40
PMP22 Q01453 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL15048641 0.91 KDM4E (0.41) ADRB2ADRB1LMNAHTR1AADRA2C
SCHEMBL3637619 0.89 MAPT (0.34) ADRB2ADRB1LMNAHTR1AADRA2C
Ether SCHEMBL4785780 0.85 ALDH1A1 (0.40) ADRB2ADRB1LMNAHTR1AADRA2C
Ether SCHEMBL5819722 0.85 ADRB2 (0.38) ADRB2ADRB1LMNAHTR1AADRA2C
Ether SCHEMBL2872980 0.84 ALDH1A1 (0.39) ADRB2ADRB1LMNAHTR1AADRA2C
SCHEMBL18141019 0.83 TSHR (0.37) TSHRKDM4EALDH1A1MEN1KMT2A
Ether SCHEMBL18378451 0.83 ADRB2 (0.37) ADRB2ADRB1LMNAHTR1AADRA2C
SCHEMBL3637623 0.80 KDM4E (0.34) ADRB2HTR1AKDM4ETDP1ALDH1A1
SCHEMBL18139366 0.80 THRA (0.41) TSHRKDM4EMEN1KMT2A
SCHEMBL23768089 0.79 ADRA2C (0.50) ADRB2ADRB1LMNAHTR1AADRA2C

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-8470741-B2 oil-based concentrate which is homogenous for at least 24 hours and which emulsifies readily on dilution into water CRODA AMERICAS LLC (US) 2013-06-25 US claimed