SCHEMBL9260667

SCHEMBL9260667

O=C(Nc1ccc(O)cc1)N(Cc1cccc(CN(C(=O)Nc2ccc(O)cc2)C2CCCCCC2)c1)C1CCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
ROCK2 O75116 1/20 0.49
DCUN1D1 Q96GG9 8/20 0.48
UBE2M P61081 7/20 0.48
TP53 P04637 3/20 0.48
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
NTRK1 P04629 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.45
ATM Q13315 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
SCHEMBL9256017 0.90 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2DCUN1D1UBE2MTP53
SCHEMBL9261691 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ROCK2DCUN1D1UBE2M
SCHEMBL9255834 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ROCK2DCUN1D1UBE2M
SCHEMBL9257544 0.89 SLC6A9 (0.59) ALDH1A1SMN1; SMN2ROCK2DCUN1D1UBE2M
SCHEMBL9257297 0.89 DCUN1D1 (0.56) ALDH1A1SMN1; SMN2ROCK2DCUN1D1UBE2M
SCHEMBL9265728 0.89 AGER (0.56) ALDH1A1SMN1; SMN2ROCK2DCUN1D1UBE2M
SCHEMBL9255607 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ROCK2DCUN1D1UBE2M
Hydrochloric Acid SCHEMBL9262873 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ROCK2DCUN1D1UBE2M
SCHEMBL9263610 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2ROCK2DCUN1D1UBE2M
SCHEMBL9260631 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2ROCK2DCUN1D1UBE2M

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 5 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-5227492-A Anticholesterol agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US 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