SCHEMBL9511088

SCHEMBL9511088

CCCCOC(C)CCC(C)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.34
TSHR P16473 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MAPT P10636 1/20 0.32
DNM1 Q05193 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
FAAH O00519 4/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL9509826 1.00 TDP1 (0.39) TDP1HSD17B10EPHX2TSHRSPHK1
SCHEMBL9511106 1.00 TDP1 (0.39) TDP1HSD17B10EPHX2TSHRSPHK1
SCHEMBL9507530 0.94 DNM1 (0.39) TDP1HSD17B10EPHX2SPHK1MAPT
SCHEMBL9509848 0.92 DNM1 (0.42) TDP1EPHX2SPHK1MAPTDNM1
SCHEMBL9509804 0.92 DNM1 (0.42) TDP1EPHX2SPHK1MAPTDNM1
SCHEMBL9509821 0.92 DNM1 (0.42) TDP1EPHX2SPHK1MAPTDNM1
SCHEMBL9507424 0.92 DNM1 (0.42) TDP1EPHX2SPHK1MAPTDNM1
SCHEMBL9508720 0.92 DNM1 (0.42) TDP1EPHX2SPHK1MAPTDNM1
SCHEMBL9511188 0.92 DNM1 (0.42) TDP1EPHX2SPHK1MAPTDNM1
SCHEMBL9508008 0.86 TDP1 (0.47) TDP1HSD17B10TSHR

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-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed