SCHEMBL9507526

SCHEMBL9507526

CCOC(C)CCC(C)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9508008 0.80 TDP1 (0.47) TSHRTDP1HSD17B10
SCHEMBL9507992 0.80 TDP1 (0.47) TSHRTDP1HSD17B10
SCHEMBL9511111 0.80 TDP1 (0.47) TSHRTDP1HSD17B10
SCHEMBL13109452 0.78 LMNA (0.45) LMNATHRB
SCHEMBL9508649 0.77 TDP1 (0.39) TSHRTDP1HSD17B10
SCHEMBL9509826 0.77 TDP1 (0.39) TSHRTDP1HSD17B10ALDH1A1
SCHEMBL9511106 0.77 TDP1 (0.39) TSHRTDP1HSD17B10ALDH1A1
SCHEMBL9511088 0.77 TDP1 (0.39) TSHRTDP1HSD17B10ALDH1A1
SCHEMBL49292 0.76
SCHEMBL3431989 0.76

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