SCHEMBL4211949

SCHEMBL4211949

CC(C)(COC(=O)CCCCC(=O)O)COC(=O)CCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
LMNA P02545 2/20 0.46
PAM P19021 2/20 0.46
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL18287419 0.94 TSHR (0.44) TSHRLMNAPAMNFKB1PMP22
SCHEMBL11242735 0.91 PAM (0.61) TSHRPAMAKR1B1ALDH1A1GPR84
SCHEMBL230981 0.90 TSHR (0.44) TSHRLMNAPAMNFKB1PMP22
SCHEMBL8594577 0.89 PAM (0.44) TSHRLMNAPAMNFKB1PMP22
SCHEMBL8522424 0.89 PAM (0.44) TSHRLMNAPAMNFKB1PMP22
Ethylene SCHEMBL30631590 0.88 TSHR (0.45) TSHRLMNAPAMNFKB1PMP22
SCHEMBL852014 0.88 TSHR (0.48) TSHRLMNAPAMNFKB1PMP22
SCHEMBL29772194 0.87 TSHR (0.42) TSHRPAMAKR1B1ALDH1A1GPR84
SCHEMBL7560959 0.87 KDM4C (0.45) TSHRLMNAPAMNFKB1PMP22
SCHEMBL1172670 0.87 TSHR (0.38) TSHRLMNAPAMNFKB1PMP22

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
US-20090061172-A1 Polyurethane Resin Composition for Durable Moisture-Permeable Waterproof Sheet, Moisture-Permeable Waterproof Sheet and Method of Manufacturing the Same KOMATSU SEIREN CO., LTD. (JP) 2009-03-05 US disclosed
CN-1137213-C Structural material, molding made therefrom, and method of degradation of these ���µ�����ҵ��ʽ���� 2004-02-04 CN disclosed
CN-1161051-A Structural material, molding made therefrom, and method of degradation of these MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1997-10-01 CN disclosed