SCHEMBL14930504

SCHEMBL14930504

CCCCCCOc1ccc(C(=O)OC)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.64
THRB P10828 1/20 0.64
SMPD1 P17405 6/20 0.55
MGLL Q99685 3/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
LPAR2 Q9HBW0 1/20 0.50
PTPN11 Q06124 1/20 0.49

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
SCHEMBL14926453 1.00 THRA (0.64) THRATHRBSMPD1MGLLMAPT
SCHEMBL9305071 1.00 THRA (0.64) THRATHRBSMPD1MGLLMAPT
SCHEMBL14926450 0.99 THRA (0.62) THRATHRBSMPD1MGLLMAPT
SCHEMBL14930507 0.94 THRA (0.56) THRATHRBMGLLMAPTALDH1A1
SCHEMBL401811 0.90 CSNK2A1 (0.51) THRATHRBMAPTALDH1A1HPGD
SCHEMBL10543265 0.88 S1PR4 (0.56) THRATHRBMAPTALDH1A1
SCHEMBL9626608 0.87 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL11315317 0.87 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL5348150 0.87 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11
SCHEMBL18682278 0.87 THRA (0.68) THRATHRBALDH1A1HPGDPTPN11

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
EP-2727947-B1 COPOLYMER, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING HARDENED PRODUCT THEREOF DAINIPPON INK & CHEMICALS (JP) 2017-03-15 EP disclosed
US-20130116396-A1 POLYMER FOR USE IN LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2013-05-09 US disclosed