SCHEMBL6838671

SCHEMBL6838671

CC(CN1CCCCC1)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
DRD3 P35462 2/20 0.58
DRD2 P14416 1/20 0.58
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
ABCB1 P08183 4/20 0.51
POLB P06746 1/20 0.51
CHRM2 P08172 1/20 0.50
ADRA2B P18089 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MITF O75030 1/20 0.49

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
SCHEMBL6835764 0.87 L3MBTL1 (0.57) LTA4HL3MBTL1DRD3DRD2ALDH1A1
SCHEMBL6838647 0.86 L3MBTL1 (0.63) LTA4HL3MBTL1DRD3DRD2ALDH1A1
SCHEMBL10901011 0.82 DRD2 (0.55) LTA4HDRD3DRD2ALDH1A1HTT
SCHEMBL4512727 0.80 LTA4H (0.62) LTA4HL3MBTL1DRD3DRD2ALDH1A1
SCHEMBL10901036 0.80 KMT2A (0.54) LTA4HL3MBTL1DRD3DRD2ALDH1A1
SCHEMBL11716269 0.79 L3MBTL1 (0.50) LTA4HL3MBTL1DRD3DRD2ALDH1A1
SCHEMBL948362 0.79 KMT2A (0.67) ALDH1A1TP53MAPTKMT2A
SCHEMBL4684533 0.79 KMT2A (0.67) ALDH1A1TP53MAPTKMT2A
SCHEMBL27310596 0.79 KMT2A (0.67) ALDH1A1TP53MAPTKMT2A
SCHEMBL10900890 0.79 DRD2 (0.63) LTA4HDRD3DRD2POLBSIGMAR1

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
US-6756388-B1 HAVING PIPERIDINYL AND PHENOLIC FUNCTIONALITY; BONE LOSS; BREAST OR PROSTATE CANCER PFIZER INC. 2004-06-29 US disclosed
EP-0723537-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS PFIZER INC. (US) 1996-07-31 EP disclosed
WO-1995010513-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS PFIZER INC. (US) 1995-04-20 WO disclosed