SCHEMBL8915838

SCHEMBL8915838

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.53
PLAU P00749 1/20 0.53
ST14 Q9Y5Y6 1/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
PTPN11 Q06124 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
RARA P10276 1/20 0.46
PARP1 P09874 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PLA2G2D Q9UNK4 1/20 0.44

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
SCHEMBL9622873 0.89 F2 (0.56) F2PLAUST14THRATHRB
SCHEMBL9638859 0.86 THRA (0.68) THRATHRBPTPN11ALDH1A1HPGD
SCHEMBL11436573 0.86 THRA (0.68) THRATHRBPTPN11ALDH1A1HPGD
SCHEMBL26926728 0.86 THRA (0.68) THRATHRBPTPN11ALDH1A1HPGD
SCHEMBL10877765 0.86 F2 (0.54) F2PLAUST14THRATHRB
SCHEMBL8814503 0.85 POLB (0.56) PTPN11ALDH1A1HPGDRARBRARG
SCHEMBL5583117 0.85 POLB (0.56) PTPN11ALDH1A1HPGDRARBRARG
Hydrochloric Acid SCHEMBL11422681 0.85 THRA (0.67) THRATHRBPTPN11ALDH1A1HPGD
SCHEMBL11364819 0.84 THRA (0.66) THRATHRBPTPN11ALDH1A1HPGD
SCHEMBL15067519 0.84 F2 (0.51) F2PLAUST14THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641846-A POLYMETHACRYLOYL MAIN CHAIN ACTING AS BACKBONE, AND BRANCHING OFF THERFORM, ATLEAST ONE COVALENTY BONDED PHOTOCHROMIC SIDE GROUP AND ATLEAST ONE NON-PHOTOCHROMIC SIDE GROUP; USED AS OPTICAL DATA STORAGE AND TRANSFER BAYER AKTIENGESELLSCHAFT (DE) 1997-06-24 US disclosed