SCHEMBL9463528

SCHEMBL9463528

CCC(Sc1ccccc1)(C(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
FFAR1 O14842 1/20 0.37
PKM P14618 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RIPK1 Q13546 3/20 0.33
KIF11 P52732 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL8324373 0.91 FFAR1 (0.41) ALDH1A1HPGDMTNR1AMTNR1BFFAR1
SCHEMBL11208198 0.74 ALDH1A1 (0.47) ALDH1A1HPGDMTNR1AMTNR1BFFAR1
SCHEMBL17766185 0.74 FFAR1 (0.39) ALDH1A1HPGDMTNR1AMTNR1BFFAR1
SCHEMBL11264686 0.73 ALDH1A1 (0.42) ALDH1A1HPGDMTNR1AMTNR1BFFAR1
SCHEMBL11573748 0.72 ALDH1A1 (0.41) ALDH1A1HPGDMTNR1AMTNR1BFFAR1
SCHEMBL11208151 0.71 OPRM1 (0.39) ALDH1A1HPGDMTNR1AMTNR1BFFAR1
SCHEMBL9463334 0.70 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL15116699 0.69 ALDH1A1 (0.42) ALDH1A1HPGDMTNR1AMTNR1BFFAR1
SCHEMBL9845391 0.69 CYP2C19 (0.44) ALDH1A1HPGDMTNR1AMTNR1BFFAR1
SCHEMBL3150010 0.69 SLC22A12 (0.50) ALDH1A1HPGDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5177211-A Anti-platelet aggregation and anti-hypotensive ALTER, S.A. (ES) 1993-01-05 US disclosed
EP-0325187-B1 4-ALKYL-1, 4-DIHYDROPYRIDINES WITH PAF-ANTAGONIST ACTIVITY ALTER, S.A. (ES) 1992-11-11 EP disclosed
EP-0325187-A1 4-alkyl-1, 4-dihydropyridines with PAF-antagonist activity ALTER, S.A. (ES) 1989-07-26 EP disclosed