SCHEMBL11745774

SCHEMBL11745774

CCN(CCOC(=O)CCCl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ CDYL Q9Y232 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CHRM2 P08172 2/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ CHRM3 P20309 2/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42

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
SCHEMBL10119047 0.91 TDP1 (0.46) SMN1; SMN2KDM4ECDYLLMNACYP1A2
SCHEMBL11652998 0.88 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ECDYLLMNACYP1A2
SCHEMBL11745632 0.85 GFER (0.44) SMN1; SMN2KDM4ECDYLLMNACYP1A2
SCHEMBL17858617 0.85 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ELMNACYP1A2CYP2D6
SCHEMBL9331718 0.82 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ECDYLLMNACYP1A2
SCHEMBL11414825 0.81 ALDH1A1 (0.50) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5691122 0.80 MEN1 (0.48) SMN1; SMN2LMNACYP1A2CYP2D6MEN1
SCHEMBL11458539 0.80 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL11825769 0.80 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ECDYLMEN1KMT2A
SCHEMBL8035941 0.79 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AGAAMAPT

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-4014864-A POLYESTER FIBERS CIBA-GEIGY CORPORATION (US) 1977-03-29 — — US disclosed
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