SCHEMBL6386008

SCHEMBL6386008

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.52
CYP1A2 P05177 1/20 0.52
BLM P54132 1/20 0.45
ACE2 Q9BYF1 1/20 0.42
LTA4H P09960 1/20 0.41
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
ENPEP Q07075 2/20 0.35
TP53 P04637 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL22036163 0.83 GABRR1 (0.34) GABRR1CYP1A2BLMCHRM1
SCHEMBL5139179 0.81 GABRR1 (0.72) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL16587657 0.80 GABRR1 (0.52) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL3453638 0.80 NAALAD2 (0.45) GABRR1CYP1A2BLMFOLH1NAALAD2
SCHEMBL16587656 0.80 GABRR1 (0.52) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL16676599 0.79 FAAH (0.36) GABRR1CYP1A2
SCHEMBL21331046 0.79 RNPEP (0.47) GABRR1CYP1A2FOLH1TP53SLC1A3
SCHEMBL986921 0.79 SLC1A3 (0.42) GABRR1CYP1A2TP53SLC1A3SLC1A2
SCHEMBL9507443 0.78 GABRR1 (0.50) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL157396 0.78 CA2 (0.52) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170343-B1 INFRARED SENSITIVE COATING LIQUID ASAHI KASEI CHEMICALS CORP (JP) 2005-11-02 EP claimed
WO-2022044824-A1 LAYERED BODY AND DISPLAY DEVICE 住友化学株式会社 2022-03-03 WO disclosed
WO-2022044822-A1 RESIN COMPOSITION, RESIN FILM, AND DISPLAY DEVICE 住友化学株式会社 2022-03-03 WO disclosed
US-20050042536-A1 Photosensitive resin composition comprising quinonediazide sulfate ester compound DONGJIN SEMICHEM CO. LTD. (KR) 2005-02-24 US disclosed
WO-2003036388-A1 PHOTOSNESITIVE RESIN COMPOSITION COMPRISING QUINONEDIAZIDE SULFATE ESTER COMPOUND DONGJIN SEMICHEM CO., LTD. (KR) 2003-05-01 WO disclosed
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