SCHEMBL24512062

SCHEMBL24512062

CC(C)=CCSC1=C(C=O)CCc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
PTAFR P25105 1/20 0.34
MIF P14174 1/20 0.33
CYP3A4 P08684 5/20 0.33
SLC6A2 P23975 4/20 0.33
LMNA P02545 4/20 0.33
CYP1A2 P05177 3/20 0.33
TP53 P04637 3/20 0.33
ADRB2 P07550 2/20 0.33
RET P07949 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
ADRB1 P08588 2/20 0.33
HTR1A P08908 2/20 0.33
CHRM5 P08912 2/20 0.33
ADRA2A P08913 2/20 0.33
CYP2D6 P10635 2/20 0.33
CHRM1 P11229 2/20 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
SCHEMBL24512368 0.78 MAOB (0.34) MIFSLC6A2LMNACYP1A2CHRM2
SCHEMBL24511863 0.76 ALDH1A1 (0.33) MIFCYP3A4SLC6A2LMNACYP1A2
SCHEMBL24512095 0.72
SCHEMBL29615670 0.70 METAP2 (0.36) RAB9ANPC1CYP3A4SLC6A2LMNA
SCHEMBL8885671 0.69 CES1 (0.47) CES1RAB9ANPC1MIFLMNA
SCHEMBL29952458 0.65 ESR1 (0.54) CES1RAB9ANPC1PARP1MAPT
SCHEMBL4268656 0.65 CES1 (0.47) CES1MIFPARP1ESR1PKM
SCHEMBL29615759 0.65 CES1 (0.47) CES1MIFPARP1ESR1PKM
SCHEMBL2063760 0.65 ESR1 (0.54) CES1RAB9ANPC1PARP1MAPT
SCHEMBL4271075 0.65 LMNA (0.42) CES1RAB9ANPC1CYP3A4SLC6A2

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
WO-2022123336-A1 CHROMENO [4,3-B] QUINOLINE COMPOUNDS AND THEIR SYNTHESIS BY USING SILICOTUNGSTIC ACID [H4SIW12O40] HEGDE SUBRAMANYA GOPAL (IN) 2022-06-16 WO disclosed
WO-2022123336-A1 CHROMENO [4,3-B] QUINOLINE COMPOUNDS AND THEIR SYNTHESIS BY USING SILICOTUNGSTIC ACID [H4SIW12O40] HEGDE SUBRAMANYA GOPAL (IN) 2022-06-16 WO disclosed