SCHEMBL9195508

SCHEMBL9195508

COCC1(C)CC(n2ccccc2=O)c2cc(C(N)=O)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
OPRM1 P35372 3/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
F2 P00734 1/20 0.32
ITGB3 P05106 1/20 0.32

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
SCHEMBL9738250 0.83 OPRM1 (0.36) F10HTR1AHTR1DHTR2CTRPV1
SCHEMBL9195542 0.82 ABCC9 (0.41)
SCHEMBL9735583 0.77 OPRM1 (0.36) F10OPRM1DRD3DRD2OPRK1
SCHEMBL8090456 0.74 ABCC9 (0.46)
SCHEMBL9734831 0.73 ALOX5 (0.37) OPRM1TSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL8088453 0.73 F10 (0.33) F10HTR1AHTR1DHTR2COPRM1
SCHEMBL9735438 0.72 HTR1A (0.40) HTR1AHTR1DHTR2COPRM1TSHR
SCHEMBL9735486 0.70 ALOX5 (0.36) OPRM1TSHRHPGDALDH1A1MAPT
SCHEMBL9735412 0.69 ABCC9 (0.32) TRPV1DRD2
SCHEMBL9736615 0.69

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
EP-0415065-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1995-06-28 EP disclosed
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed