SCHEMBL8105073

SCHEMBL8105073

CC(C)N(CCOC(=O)C1(c2ccccc2)CC(=O)C1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 1/20 0.51
CHRM2 P08172 3/20 0.50
CHRM1 P11229 3/20 0.50
CHRM3 P20309 1/20 0.50
HTT P42858 2/20 0.46
SLC22A1 O15245 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
APOBEC3A P31941 2/20 0.45

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 SCHEMBL8107104 0.99 ALDH1A1 (0.54) PRCPSIGMAR1ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL8320850 0.95 ALDH1A1 (0.51) PRCPSIGMAR1ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL8097206 0.89 ALDH1A1 (0.52) PRCPSIGMAR1ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL8106528 0.88 ALDH1A1 (0.57) PRCPSIGMAR1ALDH1A1POLBLMNA
SCHEMBL8110535 0.87 SIGMAR1 (0.70) PRCPSIGMAR1ALDH1A1POLBLMNA
SCHEMBL8319974 0.87 SIGMAR1 (0.67) PRCPSIGMAR1ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL8106500 0.86 ALDH1A1 (0.67) PRCPSIGMAR1ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL8112521 0.86 ALDH1A1 (0.71) PRCPSIGMAR1ALDH1A1POLBLMNA
SCHEMBL8106526 0.86 PRCP (0.52) PRCPSIGMAR1ALDH1A1POLBLMNA
SCHEMBL8097304 0.86 SIGMAR1 (0.69) PRCPSIGMAR1ALDH1A1POLBLMNA

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-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed