SCHEMBL9258501

SCHEMBL9258501

O=C(NC1CCCCC1)N(Cc1cccc(CN(C(=O)NC2CCCCC2)C2CCCCCC2)c1)C1CCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 5/20 0.53
TSHR P16473 3/20 0.53
USP2 O75604 2/20 0.53
EPHX2 P34913 3/20 0.49
NPSR1 Q6W5P4 3/20 0.48
HPGD P15428 3/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
AGER Q15109 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 1/20 0.46
EPHX1 P07099 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL9256039 1.00 PTGES (0.53) PTGESALDH1A1KDM4ETSHRUSP2
SCHEMBL11447172 0.82 POLB (0.59) ALDH1A1KDM4ETSHRUSP2NPSR1
SCHEMBL16118658 0.82 DCUN1D1 (0.55) PTGESALDH1A1KDM4ETSHRUSP2
SCHEMBL9256017 0.81 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2
SCHEMBL9257531 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2NPSR1HPGD
SCHEMBL23699970 0.80 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRUSP2NPSR1
SCHEMBL16118653 0.80 DCUN1D1 (0.56) PTGESALDH1A1KDM4ETSHRUSP2
SCHEMBL19570424 0.79 EPHX2 (0.62) ALDH1A1KDM4ETSHRUSP2EPHX2
SCHEMBL9260667 0.79 ALDH1A1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL9265694 0.78 MEN1 (0.48) ALDH1A1KDM4EAGER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384425-A Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-01-24 US disclosed
EP-0325397-B1 DIUREA DERIVATIVES USEFUL AS MEDICAMENTS AND PROCESSES FOR THE PREPARATION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP disclosed
US-5166429-A Enzyme inhibitors of acylcoenzyme A cholesterol transferase as anticholesterol agents or antideposit agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US disclosed
US-5091419-A Anticholesterol agent YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-02-25 US disclosed