SCHEMBL4579541

SCHEMBL4579541

CC(C)(C)c1cc(OCCN)cc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.43
LTA4H P09960 2/20 0.38
PLA2G2A P14555 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL1290789 0.81 L3MBTL1 (0.56) SMN1; SMN2TAAR1LTA4HPLA2G2APOLB
SCHEMBL14005150 0.80 AKT1 (0.48) HTR1DSMN1; SMN2TAAR1
SCHEMBL4579537 0.79 GABRA1 (0.38) HTR1DGABRA1GABRB2POLBLMNA
SCHEMBL2678698 0.79 SMN1; SMN2 (0.49) SMN1; SMN2GABRA1GABRB2POLBLMNA
SCHEMBL2678598 0.79 GABRA1 (0.38) SMN1; SMN2GABRA1GABRB2POLBLMNA
SCHEMBL2678597 0.79 GABRA1 (0.38) HTR1DSMN1; SMN2GABRA1GABRB2POLB
SCHEMBL4902926 0.79 SMN1; SMN2 (0.66) SMN1; SMN2TAAR1LTA4HPLA2G2APOLB
SCHEMBL2678696 0.79 GABRA1 (0.38) SMN1; SMN2GABRA1GABRB2POLBLMNA
SCHEMBL7879116 0.78 GABRA1 (0.41) SMN1; SMN2GABRA1GABRB2POLBLMNA
SCHEMBL278311 0.77 MAPT (0.40) SMN1; SMN2LTA4HPLA2G2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399569-B2 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJIFILM CORPORATION (JP) 2008-07-15 US disclosed
US-20050187102-A1 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2005-08-25 US disclosed