SCHEMBL2652929

SCHEMBL2652929

CC(C)Cc1cc(S(C)(=O)=O)ccc1C1(CO)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.38
▸ PNMT P11086 3/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ P2RX7 Q99572 2/20 0.31
▸ ENPP2 Q13822 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
SCHEMBL2652516 0.81 PNMT (0.36) PNMTKDM1AALDH1A1MAPTKCNH2
SCHEMBL2654022 0.80 AKR1C3 (0.38) HRH4PNMTKDM1AAKR1C3AKR1C2
SCHEMBL2652981 0.77 KMT2A (0.41) PNMTKDM1AALDH1A1CLK1
SCHEMBL2652954 0.72 PTGS2 (0.45) HRH4PNMTKDM1AALDH1A1
SCHEMBL25442424 0.71 HRH4 (0.47) HRH4AKR1C3AKR1C2ALDH1A1ENPP2
SCHEMBL2652996 0.71 PTGS2 (0.47) HRH4PNMTKDM1ACLK1
SCHEMBL20526546 0.70 G6PD (0.50) HRH4AKR1C3AKR1C2ALDH1A1
SCHEMBL25442683 0.70 HRH4 (0.43) HRH4AKR1C3AKR1C2ALDH1A1
SCHEMBL8947263 0.70 LMNA (0.51) HRH4AKR1C3AKR1C2ALDH1A1
SCHEMBL13176065 0.67 LMNA (0.44) HRH4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 — — EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — WO disclosed
Send feedback