SCHEMBL11839171

SCHEMBL11839171

O=C(O)CCC(Cl)c1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ADAMTS4 O75173 1/20 0.45
▸ CYP1A2 P05177 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ FBP1 P09467 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ EIF4E P06730 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PTPN1 P18031 1/20 0.36

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
SCHEMBL11827914 0.86 ALDH1A1 (0.44) ALDH1A1TDP1CYP1A2TSHRFBP1
SCHEMBL11757234 0.86 ALDH1A1 (0.54) ALDH1A1TDP1ADAMTS4CYP1A2TSHR
SCHEMBL11833045 0.83 HRH2 (0.46) ALDH1A1TDP1ADAMTS4MAPTLMNA
SCHEMBL11839175 0.82 CYP1A2 (0.48) ALDH1A1TDP1ADAMTS4CYP1A2TSHR
SCHEMBL11827349 0.80 MME (0.49) ALDH1A1HPGD
SCHEMBL11790626 0.80 ALDH1A1 (0.60) ALDH1A1TDP1ADAMTS4CYP1A2TSHR
SCHEMBL11838193 0.79 FFAR1 (0.50) ALDH1A1ADAMTS4CYP1A2TSHRLMNA
SCHEMBL10347131 0.78 CYP3A4 (0.48) ALDH1A1TDP1CYP1A2TSHRMAPT
SCHEMBL11760551 0.76 LMNA (0.59) ALDH1A1TDP1ADAMTS4CYP1A2FBP1
SCHEMBL11842494 0.75 ALDH1A1 (0.62) ALDH1A1TDP1ADAMTS4CYP1A2TSHR

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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