SCHEMBL16086403

SCHEMBL16086403

CCCOC(=O)C1(C(=O)OCCC)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
CHRM1 P11229 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
HRH2 P25021 1/20 0.35

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
SCHEMBL16086270 0.96 TSHR (0.38) HCAR2PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL234284 0.94 CYP3A4 (0.41) HCAR2PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL16086417 0.91 HCAR2 (0.39) HCAR2PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL16086404 0.90 TSHR (0.37) HCAR2PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL6058609 0.88 ALDH1A1 (0.48) HCAR2ALDH1A1TSHRLMNACYP1A2
SCHEMBL16086075 0.86 NAAA (0.47) HCAR2ALDH1A1TSHRLMNACYP3A4
SCHEMBL16086271 0.86 TSHR (0.41) HCAR2PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL17812445 0.84 NAAA (0.50) HCAR2ALDH1A1TSHRLMNANPSR1
SCHEMBL17812531 0.84 NAAA (0.50) HCAR2ALDH1A1TSHRLMNANPSR1
SCHEMBL17812551 0.84 NAAA (0.50) HCAR2ALDH1A1TSHRLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US disclosed
CN-103958533-B Optically active bisoxazoline compound, asymmetric catalyst, and method for producing optically active cyclopropane compound using same SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-02-10 CN disclosed
EP-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 EP disclosed
CN-103958533-A Optically active bis-oxazoline compound, asymmetric catalyst, and method for producing optically active cyclopropane compound using same SUMITOMO CHEMICAL CO 2014-07-30 CN disclosed