SCHEMBL11049210

SCHEMBL11049210

Clc1ccc2c(c1)CC[C@@H]1Cc3ccccc3O[C@H]21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.38
HTR2C P28335 3/20 0.38
FADS1 O60427 1/20 0.38
SLC6A4 P31645 2/20 0.38
SRD5A1 P18405 4/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRD5A2 P31213 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAOB P27338 1/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL11352506 1.00 CYP19A1 (0.38) CYP19A1HTR2CFADS1SLC6A4SRD5A1
SCHEMBL11049212 1.00 CYP19A1 (0.38) CYP19A1HTR2CFADS1SLC6A4SRD5A1
SCHEMBL11045163 0.89 HRH4 (0.41) HTR2CFADS1SLC6A4CHRM2L3MBTL1
SCHEMBL11045161 0.89 HRH4 (0.41) HTR2CFADS1SLC6A4CHRM2L3MBTL1
SCHEMBL11364253 0.89 HRH4 (0.41) HTR2CFADS1SLC6A4CHRM2L3MBTL1
SCHEMBL11044525 0.88 HTR2C (0.45) CYP19A1HTR2CSLC6A4CHRM2CHRM4
SCHEMBL11043928 0.84 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11043930 0.84 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11042908 0.84 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11046135 0.80 HRH3 (0.45) CYP19A1HTR2CSLC6A4CHRM2L3MBTL1

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
US-4452991-A OR BENZO(B)INDENO (2,1-E) PYRANS OR BENZO(C)XANTHENES BATCHELOR JOHN F (GB) 1984-06-05 US claimed
EP-0025599-B1 BENZOPYRAN COMPOUNDS, USEFUL AS CHEMOTHERAPEUTIC AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1984-12-19 EP disclosed
US-4452991-A OR BENZO(B)INDENO (2,1-E) PYRANS OR BENZO(C)XANTHENES BATCHELOR JOHN F (GB) 1984-06-05 US disclosed
EP-0025599-A1 Benzopyran compounds, useful as chemotherapeutic agents THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-25 EP disclosed