SCHEMBL9509815

SCHEMBL9509815

CC(C)COC(=O)C(C)CCC(C)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 1/20 0.32
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 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
SCHEMBL9507506 0.80 MAPT (0.36) TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL3904364 0.80 TSHR (0.44) TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL6734968 0.80 TSHR (0.44) TSHRALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL6734970 0.80 TSHR (0.44) TSHRALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL9507272 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL25634926 0.79 TSHR (0.37) TSHRALDH1A1
SCHEMBL6741137 0.78 TSHR (0.42) TSHRALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL6741133 0.78 ALDH1A1 (0.42) TSHRALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL9509857 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GABRR1CYP1A2
SCHEMBL129604 0.77 TSHR (0.50) TSHRALDH1A1RAB9ASMN1; SMN2MAPT

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