SCHEMBL724698

SCHEMBL724698

CCC(c1cccc(N(C(C)C)C(C)C)c1)c1cc(C(=O)O)ccc1OC(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
TTR P02766 2/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
ELANE P08246 2/20 0.36
SRD5A2 P31213 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 2/20 0.34
CASP6 P55212 1/20 0.34
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL725534 0.88 CHRM2 (0.46) CHRM2CHRM1TSHRGAAALDH1A1
SCHEMBL11292328 0.88 TTR (0.40) CHRM2CHRM1TTRTSHRGAA
SCHEMBL11304166 0.88 TTR (0.40) CHRM2CHRM1TTRTSHRGAA
SCHEMBL4659057 0.86 CHRM2 (0.62) CHRM2CHRM1RAB9AELANEMAPT
SCHEMBL1158251 0.86 CHRM2 (0.62) CHRM2CHRM1RAB9AELANEMAPT
SCHEMBL7754999 0.85 CHRM2 (0.51) CHRM2CHRM1ELANEALOX15LMNA
Hydrochloric Acid SCHEMBL16166361 0.85 CHRM2 (0.61) CHRM2CHRM1ALDH1A1ELANEALOX15
SCHEMBL11301929 0.85 CHRM2 (0.43) CHRM2CHRM1ALOX15
SCHEMBL3960558 0.83 MRGPRX4 (0.48) RAB9AMAPTPOLBRXRA
SCHEMBL723430 0.83 MRGPRX4 (0.48) RAB9AMAPTPOLBRXRA

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
WO-2012025941-A2 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2012-03-01 WO disclosed