SCHEMBL4746677

SCHEMBL4746677

Cc1cc(C)c(C)c(OCCCCCBr)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTR1A P08908 2/20 0.43
HTR7 P34969 1/20 0.43
NPSR1 Q6W5P4 1/20 0.38
CSF1R P07333 1/20 0.38
KDR P35968 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
SCHEMBL18644548 0.81 L3MBTL1 (0.58) L3MBTL1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL6742429 0.79 TSHR (0.58) L3MBTL1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9213101 0.79 TSHR (0.58) L3MBTL1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL11241141 0.77 KMT2A (0.47) L3MBTL1ALDH1A1KDM4ELMNAMAPT
SCHEMBL10749843 0.77 ALDH1A1 (0.53) L3MBTL1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7639935 0.76 TSHR (0.60) L3MBTL1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL11337474 0.76 HTR7 (0.56) L3MBTL1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL26204404 0.75 ALDH1A1 (0.58) L3MBTL1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7795191 0.74 ALDH1A1 (0.66) L3MBTL1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL14365499 0.73 TP53 (0.54) ALDH1A1KDM4EMAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed
EP-0680472-A1 4,5-DIPHENYLIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ACYL COENZYME A: CHOLESTEROL-0-ACYL-TRANSFERASE (ACAT) INHIBITOR PHARMACIA & UPJOHN S.p.A. (IT) 1995-11-08 EP disclosed
WO-1995014673-A1 4,5-DIPHENYLIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ACYL COENZYME A: CHOLESTEROL-0-ACYL-TRANSFERASE (ACAT) INHIBITOR PHARMACIA S.P.A. (IT) 1995-06-01 WO disclosed