SCHEMBL5583117

SCHEMBL5583117

O=C(O)c1ccc(OCCCCCCO)c(OCCCCCCO)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CASP6 P55212 1/20 0.56
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
PTPN11 Q06124 1/20 0.50
SMPD1 P17405 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
RARA P10276 1/20 0.48
PLA2G4B P0C869 1/20 0.48

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
SCHEMBL8814503 1.00 POLB (0.56) POLBCASP6TSHRALDH1A1HPGD
SCHEMBL19970627 0.92 POLB (0.68) POLBCASP6TSHRALDH1A1HPGD
SCHEMBL19970629 0.92 POLB (0.68) POLBCASP6TSHRALDH1A1HPGD
SCHEMBL19970613 0.92 POLB (0.68) POLBCASP6TSHRALDH1A1HPGD
SCHEMBL7751323 0.91 TSHR (0.68) TSHRSMPD1CA12CA1CA2
SCHEMBL19970637 0.91 TSHR (0.68) TSHRSMPD1CA12CA1CA2
SCHEMBL19970622 0.91 TSHR (0.68) TSHRSMPD1CA12CA1CA2
SCHEMBL19970634 0.91 POLB (0.70) POLBCASP6TSHRALDH1A1HPGD
SCHEMBL19970616 0.89 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL19970628 0.87 POLB (0.70) POLBCASP6TSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142863-B1 Polymerisable liquid crystals BASF AG (DE) 2007-08-01 EP disclosed
US-6793986-B2 Polymerizable liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20040075080-A1 Crosslinkable mesogendiols BASF AKTIENGESELLSCHAFT (DE) 2004-04-22 US disclosed
US-6699405-B2 Polymerizable liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20020036285-A1 Having relatively high crosslinking density. BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 US disclosed
EP-1142863-A2 Polymerisable liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2001-10-10 EP disclosed