SCHEMBL9725128

SCHEMBL9725128

CCCc1cc(C(C)(C)C)ccc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GHSR Q92847 1/20 0.37
CYP2D6 P10635 3/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
ATM Q13315 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL957709 0.85 PPARA (0.41) ALDH1A1SMN1; SMN2LMNAMAPTMCHR1
SCHEMBL1512743 0.80 PGR (0.46) MAPK1TSHRALOX15HSD17B10
SCHEMBL11704814 0.77 CYP2D6 (0.41) ALDH1A1SMN1; SMN2LMNACYP2D6MAPT
SCHEMBL23816601 0.77 CYP1A2 (0.42) HTR1DALDH1A1MAPK1SMN1; SMN2CYP2D6
SCHEMBL20183933 0.77 ALDH1A3 (0.42) ALDH1A1NPSR1TSHRHPGDHSD17B10
SCHEMBL28765524 0.77 SRC (0.50) ALDH1A1SMN1; SMN2LMNAMAPTCYP1A2
SCHEMBL9481170 0.77 PRKCI (0.38) ALDH1A1MAPK1LMNAMAPTTP53
SCHEMBL8646901 0.77 CNR1 (0.41) ALDH1A1GPR84
SCHEMBL356134 0.75 MAPT (0.44) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL3429791 0.75 HSD17B3 (0.44) LMNAMAPTESR1ESR2TP53

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-5162305-A Calcium lowering in blood; hypoglycemic agents, analgesics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed