SCHEMBL11638740

SCHEMBL11638740

C=CCOC(=O)c1c(O)c2cc(OC)c(OC)cc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38

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
SCHEMBL11642713 0.87 ALDH1A1 (0.53) ALDH1A1KDM4ERXFP1LMNAMEN1
SCHEMBL11641263 0.86 RXFP1 (0.58) ALDH1A1KDM4ERXFP1TSHRLMNA
SCHEMBL11375460 0.85 ALDH1A1 (0.63) ALDH1A1KDM4ETSHRLMNAMEN1
SCHEMBL11639469 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRLMNAHIF1A
SCHEMBL11648831 0.83 RXFP1 (0.46) ALDH1A1KDM4ERXFP1TSHRLMNA
SCHEMBL11639817 0.82 RXFP1 (0.45) ALDH1A1KDM4ERXFP1TSHRLMNA
SCHEMBL11640971 0.80 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL11642218 0.79 LMNA (0.55) ALDH1A1KDM4ERXFP1TSHRLMNA
SCHEMBL11373100 0.79 MEN1 (0.50) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL11643317 0.78 LMNA (0.54) ALDH1A1KDM4ERXFP1TSHRLMNA

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-4119720-A ANTIALLERGENS SANDOZ, INC. (US) 1978-10-10 — — US claimed
US-4119720-A ANTIALLERGENS SANDOZ, INC. (US) 1978-10-10 — — US disclosed
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