SCHEMBL6627348

SCHEMBL6627348

CCCC(=O)C1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 5/20 0.42
TSHR P16473 3/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 5/20 0.42
MAPT P10636 2/20 0.42
NOS2 P35228 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL11187096 0.92 ALDH1A1 (0.40) HPGDSMN1; SMN2RAB9ATSHRNPC1
SCHEMBL6142686 0.89 SMN1; SMN2 (0.47) HPGDSMN1; SMN2RAB9ATSHRNPC1
SCHEMBL6142683 0.89 SMN1; SMN2 (0.47) HPGDSMN1; SMN2RAB9ATSHRNPC1
SCHEMBL20456697 0.85 SMN1; SMN2 (0.45) HPGDSMN1; SMN2RAB9ANPC1TP53
SCHEMBL20456696 0.85 SMN1; SMN2 (0.45) HPGDSMN1; SMN2RAB9ANPC1TP53
SCHEMBL1579653 0.83
SCHEMBL8915983 0.83
SCHEMBL1579651 0.83
SCHEMBL17241712 0.80 NOS2 (0.41) HPGDSMN1; SMN2RAB9ANPC1TP53
SCHEMBL4719419 0.79 NOS2 (0.43) HPGDSMN1; SMN2RAB9ATSHRNPC1

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
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed