SCHEMBL6628624

SCHEMBL6628624

COC(=O)C1CCCC(CC(O)CO)N1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.44
PREP P48147 2/20 0.44
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRCP P42785 1/20 0.41
CTRB1 P17538 1/20 0.41
LTA4H P09960 2/20 0.40

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
SCHEMBL6627266 0.88 PREP (0.48) FKBP1APREPHTR2CALDH1A1CYP3A4
SCHEMBL6625440 0.82 FKBP1A (0.47) FKBP1APREPHTR2CALDH1A1CYP3A4
SCHEMBL6625918 0.81 FKBP1A (0.52) FKBP1APREPHTR2CALDH1A1CYP3A4
SCHEMBL19898539 0.81 HTR2C (0.47) FKBP1APREPHTR2CALDH1A1CYP3A4
SCHEMBL6625451 0.81 FKBP1A (0.46) FKBP1APREPHTR2CALDH1A1CYP3A4
SCHEMBL19898733 0.81 HTR2C (0.47) FKBP1APREPHTR2CALDH1A1CYP3A4
SCHEMBL19910781 0.81 HTR2C (0.47) FKBP1APREPHTR2CALDH1A1CYP3A4
SCHEMBL6628463 0.80 FKBP1A (0.51) FKBP1APREPHTR2CALDH1A1CYP3A4
SCHEMBL9546447 0.80 HTR2C (0.57) FKBP1APREPHTR2CALDH1A1CYP3A4
SCHEMBL6627702 0.79 PREP (0.49) FKBP1APREPHTR2CTSHRNPSR1

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
EP-1098897-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMA (US) 2004-06-09 EP disclosed
US-6630472-B1 Peptidyl-prolyl isomerase inhibitors PFIZER INC 2003-10-07 US disclosed
EP-1098897-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2001-05-16 EP disclosed
WO-2000004020-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2000-01-27 WO disclosed