SCHEMBL6536829

SCHEMBL6536829

Cc1ccc(C(c2ccc(C)cc2)C(C)(OP(=O)(O)O)c2ccc(C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
MMP8 P22894 1/20 0.34
PTPN5 P54829 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28203220 0.75 TSHR (0.43) TSHRLMNACA12CA1MMP8
SCHEMBL5145649 0.73 TSHR (0.38) TSHRALOX5NPC1MAPTRAB9A
SCHEMBL3883723 0.69 TSHR (0.48) TSHRLMNACA12CA1MMP8
SCHEMBL28670552 0.68 TSHR (0.43) TSHRLMNACA12CA1MMP8
SCHEMBL19093910 0.68 TSHR (0.39) TSHRLMNACA12CA1MMP8
SCHEMBL1725603 0.66 TSHR (0.45) TSHRLMNACA12CA1MMP8
SCHEMBL7787771 0.66 SRC (0.44)
SCHEMBL28204027 0.66 SMPD1 (0.38) TSHRLMNANPC1MAPTRAB9A
SCHEMBL11759829 0.65 TSHR (0.48) TSHRLMNACA12CA1MMP8
SCHEMBL14029162 0.65 TSHR (0.48) TSHRLMNACA12CA1MMP8

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-6682591-B2 HYDROLYTICALLY STABLE XEROX CORPORATION 2004-01-27 US disclosed
US-20030127020-A1 Aqueous ink compositions containing borate esters XEROX CORPORATION 2003-07-10 US disclosed
US-6585816-B1 As vehicle for thermal ink jet printing; nonevaporating, nonspilling XEROX CORPORATION 2003-07-01 US disclosed
EP-1310532-A1 Phase change inks containing borate esters Xerox Corporation (US) 2003-05-14 EP disclosed