SCHEMBL12182012

SCHEMBL12182012

O=C1C2C3CCC(O3)C2C(=O)N1CCO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 4/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
GMNN O75496 1/20 0.42
PPP1CC P36873 1/20 0.42
TFPI2 P48307 1/20 0.42
PPP5C P53041 1/20 0.42
PPP1CA P62136 1/20 0.42
PMP22 Q01453 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 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
SCHEMBL13311393 1.00 PPM1B (0.43) PPM1BUSP2TSHRHTTHSD17B10
SCHEMBL17532429 0.88 PPM1B (0.48) PPM1BUSP2TSHRHTTHSD17B10
SCHEMBL13311489 0.84 ALDH1A1 (0.46) PPM1BUSP2TSHRHTTHSD17B10
SCHEMBL17532421 0.84 ALDH1A1 (0.46) PPM1BUSP2TSHRHTTHSD17B10
SCHEMBL17532425 0.82 RAB9A (0.52) PPM1BUSP2TSHRHTTHSD17B10
SCHEMBL22012806 0.82 PPM1B (0.37) PPM1BUSP2TSHRHTTHSD17B10
SCHEMBL13311367 0.81 L3MBTL1 (0.42) PPM1BLMNASMN1; SMN2KDM4ERAB9A
SCHEMBL3495026 0.81 L3MBTL1 (0.42) PPM1BLMNASMN1; SMN2KDM4ERAB9A
SCHEMBL3497073 0.81 PPM1B (0.42) PPM1BUSP2TSHRHTTHSD17B10
SCHEMBL12181991 0.79 PPM1B (0.49) PPM1BLMNASMN1; SMN2KDM4ERAB9A

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
WO-2016050208-A1 BIO-RELATED SUBSTANCE MODIFIED BY MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE 厦门赛诺邦格生物科技有限公司 2016-04-07 WO disclosed
US-20130047844-A1 POLYMERS, POLYMER MEMBRANES AND METHODS OF PRODUCING THE SAME AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-02-28 US disclosed
WO-2011143530-A1 POLYMERS, POLYMER MEMBRANES AND METHODS OF PRODUCING THE SAME AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-11-17 WO disclosed