SCHEMBL8330198

SCHEMBL8330198

C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCN1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
THRB P10828 9/20 0.48
THRA P10827 2/20 0.48
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SCN3A Q9NY46 1/20 0.42

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
SCHEMBL10707695 0.89 TSHR (0.53) TSHRLMNAPOLBSMN1; SMN2ALDH1A1
Fluoride SCHEMBL7527634 0.89 ATM (0.49) THRBLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL67735 0.89 ATM (0.49) THRBLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL23853523 0.88 TSHR (0.50) TSHRLMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL608308 0.86 GAA (0.48) TSHRTHRBLMNAPOLBSMN1; SMN2
SCHEMBL22615471 0.85 THRB (0.48) TSHRTHRBTHRALMNAPOLB
Hydrochloric Acid SCHEMBL21854850 0.85 KDM4E (0.47) TSHRTHRBLMNAPOLBSMN1; SMN2
Fluoride SCHEMBL27813530 0.81 TSHR (0.96) TSHRTHRBLMNAPOLBALDH1A1
SCHEMBL15476101 0.81 HCAR2 (0.55) THRBTHRALMNAPOLBSMN1; SMN2
Fluoride SCHEMBL28093519 0.81 TSHR (0.96) TSHRTHRBLMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998075-A PIGMENT YELLOW 180 OR COLOR INDEX SOLVENT YELLOW 162; SALICYLIC ACID METAL SALT; BORATE-CONTAINING COMPOUND; LONG-CHAIN METHACRYLATE COPOLYMER OF A NITROGEN MONOMER MINOLTA CO., LTD. (JP) 1999-12-07 US disclosed