SCHEMBL11549502

SCHEMBL11549502

CCOc1c(OC)cccc1-c1nc2ccc(C(=O)OCCN3CCCC3)cc2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GUSB P08236 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ IL17A Q16552 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ SLC29A1 Q99808 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PDE5A O76074 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTR4 Q13639 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
SCHEMBL11553644 0.88 ALDH1A1 (0.53) MEN1KMT2AGUSBKDM4EALDH1A1
SCHEMBL11554732 0.85 GUSB (0.45) MEN1KMT2AGUSBKDM4EALDH1A1
SCHEMBL11557400 0.85 NPSR1 (0.47) MEN1KMT2ANPSR1GUSBKDM4E
SCHEMBL11556023 0.85 GUSB (0.51) MEN1KMT2AGUSBKDM4EALDH1A1
SCHEMBL11553799 0.85 GUSB (0.44) MEN1KMT2AGUSBKDM4EALDH1A1
SCHEMBL11549471 0.83 GUSB (0.53) MEN1KMT2AGUSBPOLBSMN1; SMN2
SCHEMBL11553336 0.81 GUSB (0.51) MEN1KMT2AGUSBPOLBSMN1; SMN2
SCHEMBL11556986 0.79 KMT2A (0.44) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL11375840 0.78 ALDH1A1 (0.58) MEN1KMT2AGUSBKDM4EALDH1A1
SCHEMBL11553024 0.78 GUSB (0.57) MEN1KMT2AGUSBKDM4EALDH1A1

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-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 — — US claimed
US-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 — — US disclosed
Send feedback