SCHEMBL7260706

SCHEMBL7260706

NCc1cccs1.O=C(O)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 3/20 0.42
CTSC P53634 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7260704 0.77 RAB9A (0.51) HPGDL3MBTL1KMT2APOLBMEN1
Acetic Acid SCHEMBL4752723 0.77 CYP2C19 (0.53) HPGDL3MBTL1KMT2APOLBPKM
Cyclopentane SCHEMBL27521514 0.76 HPGD (0.61) HPGDKMT2APOLBMAPTPKM
Cyclopentane SCHEMBL27521437 0.76 HPGD (0.61) HPGDKMT2APOLBMAPTPKM
Cyclohexane SCHEMBL28743392 0.76 HPGD (0.61) HPGDKMT2APOLBMAPTPKM
Cyclohexane SCHEMBL27520153 0.76 HPGD (0.61) HPGDKMT2APOLBMAPTPKM
SCHEMBL121154 0.74
SCHEMBL5567016 0.73 HPGD (1.00) HPGDKMT2APOLBPKMMEN1
Trifluoroacetic Acid SCHEMBL6383554 0.72 CYP2C19 (0.49) HPGDKMT2APOLBMEN1ALDH1A1
SCHEMBL23751424 0.72 LMNA (0.56) POLBALDH1A1SMN1; SMN2CYP2D6TSHR

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
WO-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO claimed