SCHEMBL868069

SCHEMBL868069

CCCCCCCC[N+]12CCC(CC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
CHRNA7 P36544 1/20 0.35
EPHX1 P07099 1/20 0.34
APOBEC3A P31941 2/20 0.34
APOBEC3G Q9HC16 2/20 0.34
RGS12 O14924 1/20 0.34
HTT P42858 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ALDH1A1 P00352 2/20 0.32
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2525998 1.00 GNAI3 (0.41) GNAI3GNAO1GNAI1TSHRTHRB
Water SCHEMBL2526562 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
Iodide SCHEMBL3854066 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
Bromide SCHEMBL2524389 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL1666073 0.88 CHRNA7 (0.36) CHRNA7
Acetic Acid SCHEMBL5368078 0.87 CES2 (0.36) GNAI3GNAO1GNAI1APOBEC3AAPOBEC3G
SCHEMBL7263081 0.85 CHRNA7 (0.38) CHRNA7
Bromide SCHEMBL7629729 0.83 CHRNA7 (0.36) CHRNA7
Bromide SCHEMBL22788428 0.80 TSHR (0.44) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL18845451 0.80 TSHR (0.41) GNAI3GNAO1GNAI1TSHRTHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618903-B1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEM CO (US) 2016-01-27 EP disclosed
US-8785686-B2 Process for recovering and recycling an acid catalyst EASTMAN CHEMICAL COMPANY (US) 2014-07-22 US disclosed
US-8709376-B2 Process for recovering and recycling an acid catalyst EASTMAN CHEMICAL COMPANY (US) 2014-04-29 US disclosed
US-20120215027-A1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2012-08-23 US disclosed
US-20120078010-A1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2012-03-29 US disclosed