SCHEMBL9049032

SCHEMBL9049032

CCC(C(=O)c1cccs1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 5/20 0.51
HPGD P15428 4/20 0.51
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL3197028 0.73 TSHR (0.58) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL4670637 0.71 CES2 (0.39) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL15309731 0.70 TSHR (0.51) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL81393 0.70 CYP2C9 (0.55) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL8298426 0.70 TSHR (0.55) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL10914534 0.70 LMNA (0.46) RAB9ANPC1HPGDTSHRALDH1A1
Hydrochloric Acid SCHEMBL4126481 0.69 TSHR (0.54) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL9777027 0.68 RAB9A (0.58) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL5046057 0.68 RAB9A (0.58) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL12181229 0.68 RAB9A (1.00) RAB9ANPC1HPGDTSHRALDH1A1

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-0339599-B1 Process for producing acylaromatic compounds SUMITOMO CHEMICAL CO (JP) 1996-08-21 EP disclosed
EP-0339599-A2 Process for producing acylaromatic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-02 EP disclosed