SCHEMBL12480849

SCHEMBL12480849

CC(C)Oc1ccc(C2OCCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A3 P47895 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PARP10 Q53GL7 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL10761456 0.93 TSHR (0.45) TSHRPOLBALDH1A1KDM4EHPGD
SCHEMBL9778744 0.83 CHRNB4 (0.38) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9778471 0.81 KCNH2 (0.47)
SCHEMBL9778992 0.79 KDM1A (0.46) ALDH1A1HPGDGAASMN1; SMN2NPC1
SCHEMBL13558669 0.79 SMN1; SMN2 (0.51) TSHRPOLBALDH1A3KMT2AMEN1
SCHEMBL9451018 0.78 MEN1 (0.41) TSHRPOLBALDH1A1KMT2AMEN1
SCHEMBL29281398 0.76 HPGD (0.52) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL29950610 0.76 KDM1A (0.46) ALDH1A1HPGDGAASMN1; SMN2NPC1
SCHEMBL11978140 0.75 NQO1 (0.50) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11957485 0.75 SLC6A2 (0.36) TSHRALDH1A1HPGDKMT2AMEN1

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
EP-2348096-A2 Synthesis of hybrid block copolymers and uses thereof Intezyne Technologies Inc. (US) 2011-07-27 EP disclosed