SCHEMBL9507621

SCHEMBL9507621

CCC(C)CCOC(=O)C(C)CCC(C)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL9507495 0.82 HSD17B10 (0.40) MAPTHSD17B10TSHRACE2
SCHEMBL10044202 0.80 TSHR (0.38) ALOX15MAPTHSD17B10TSHRCHRNB2
SCHEMBL27627896 0.80 ALOX15 (0.39) ALOX15MAPTHSD17B10TSHRCHRNB2
SCHEMBL9507791 0.79 ALDH1A1 (0.47) MAPTTSHRACE2
SCHEMBL9507272 0.78 ALDH1A1 (0.40) ALOX15HSD17B10
SCHEMBL14400108 0.78 ALOX15 (0.40) ALOX15MAPTCHRNB2CHRNA4CHRNB4
SCHEMBL9507380 0.78 NAAA (0.46) MAPTTSHRACE2
SCHEMBL9507698 0.76 NAAA (0.48) MAPTTSHRACE2
SCHEMBL9508048 0.76 NAAA (0.48) MAPTTSHRACE2
SCHEMBL9509884 0.76 NAAA (0.48) MAPTTSHRACE2

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 2 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