SCHEMBL10397697

SCHEMBL10397697

CCCCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OCC(C)CC)cc3F)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PTPN11 Q06124 3/20 0.46
MAPT P10636 2/20 0.45
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
S1PR1 P21453 2/20 0.40
SMPD1 P17405 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
RARB P10826 3/20 0.39

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
SCHEMBL10397765 1.00 THRA (0.48) THRATHRBPTPN11MAPTPTPN1
SCHEMBL9628370 1.00 THRA (0.48) THRATHRBPTPN11MAPTPTPN1
SCHEMBL10398216 1.00 THRA (0.48) THRATHRBPTPN11MAPTPTPN1
SCHEMBL10397439 1.00 THRA (0.48) THRATHRBPTPN11MAPTPTPN1
SCHEMBL9626899 1.00 THRA (0.48) THRATHRBPTPN11MAPTPTPN1
SCHEMBL9626805 1.00 THRA (0.48) THRATHRBPTPN11MAPTPTPN1
SCHEMBL9626605 1.00 THRA (0.48) THRATHRBPTPN11MAPTPTPN1
SCHEMBL9627299 0.93 PTPN11 (0.43) THRATHRBPTPN11MAPTPTPN1
SCHEMBL10397764 0.93 PTPN11 (0.43) THRATHRBPTPN11MAPTPTPN1
SCHEMBL9627426 0.92 THRA (0.48) THRATHRBPTPN11MAPTNPC1

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-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US disclosed