SCHEMBL4388070

SCHEMBL4388070

Clc1ccc([C@H]2O[C@@H]2c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.46
RAB9A P51151 1/20 0.43
EPHX1 P07099 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MDM2 Q00987 2/20 0.41
PLAU P00749 1/20 0.41
RET P07949 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
SCHEMBL4388071 1.00 TSHR (0.48) TSHRCYP1A2RAB9AEPHX1SLC6A3
SCHEMBL9729085 0.92 LMNA (0.47) TSHRCYP1A2RAB9ASLC6A3ALDH1A1
SCHEMBL10523982 0.92 LMNA (0.47) TSHRCYP1A2RAB9ASLC6A3ALDH1A1
SCHEMBL270441 0.84 EPHX1 (0.52) TSHRCYP1A2EPHX1LMNAPLAU
SCHEMBL1199046 0.84 EPHX1 (0.52) TSHRCYP1A2EPHX1LMNAPLAU
SCHEMBL3644410 0.84 EPHX1 (0.52) TSHRCYP1A2EPHX1LMNAPLAU
SCHEMBL1103798 0.84 EPHX1 (0.52) TSHRCYP1A2EPHX1LMNAPLAU
SCHEMBL63809 0.84 EPHX1 (0.52) TSHRCYP1A2EPHX1LMNAPLAU
SCHEMBL12914371 0.84 EPHX1 (0.52) TSHRCYP1A2EPHX1LMNAPLAU
SCHEMBL1199563 0.84 EPHX1 (0.52) TSHRCYP1A2EPHX1LMNAPLAU

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-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed