SCHEMBL9666809

SCHEMBL9666809

CCC(c1ccccc1)C(CCOS(=O)(=O)c1ccc(C)cc1)C(CC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
STAT3 P40763 1/20 0.39
PKM P14618 1/20 0.38
CYP24A1 Q07973 1/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNA5 P22460 2/20 0.37
VDR P11473 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4655851 0.83 LMNA (0.44) ALDH1A1STAT3PKMCYP24A1LMNA
SCHEMBL7840144 0.82 ALDH1A1 (0.43) ALDH1A1STAT3PKMCYP24A1LMNA
SCHEMBL6005431 0.82 PKM (0.43) ALDH1A1STAT3PKMCYP24A1LMNA
SCHEMBL18092987 0.81 ALDH1A1 (0.45) ALDH1A1STAT3PKMCYP24A1LMNA
SCHEMBL18092988 0.81 ALDH1A1 (0.45) ALDH1A1STAT3PKMCYP24A1LMNA
SCHEMBL1463518 0.80 PKM (0.51) ALDH1A1STAT3PKMCYP24A1LMNA
SCHEMBL1463520 0.80 PKM (0.51) ALDH1A1STAT3PKMCYP24A1LMNA
SCHEMBL1464675 0.80 PKM (0.51) ALDH1A1STAT3PKMCYP24A1LMNA
SCHEMBL6007086 0.77 PARL (0.40) ALDH1A1STAT3PKMCYP24A1LMNA
SCHEMBL12936205 0.77 CA12 (0.41) ALDH1A1STAT3LMNAVDRHTT

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-5157038-A Antidepressants; tranquilizers; treatment of schizophrenia and epilepsy; antilepmic agents RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-10-20 US disclosed