SCHEMBL11045161

SCHEMBL11045161

Clc1ccc2c(c1)C[C@H]1CCc3ccccc3[C@H]1O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
FADS1 O60427 1/20 0.41
AR P10275 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSD P07339 1/20 0.36
SLC6A4 P31645 4/20 0.35
HTR2C P28335 3/20 0.35
PRCP P42785 1/20 0.35
HSD11B1 P28845 1/20 0.35
HTR2B P41595 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL11364253 1.00 HRH4 (0.41) HRH4HRH3FADS1ARSIGMAR1
SCHEMBL11045163 1.00 HRH4 (0.41) HRH4HRH3FADS1ARSIGMAR1
SCHEMBL11352506 0.89 CYP19A1 (0.38) HRH4HRH3FADS1ARL3MBTL1
SCHEMBL11049212 0.89 CYP19A1 (0.38) HRH4HRH3FADS1ARL3MBTL1
SCHEMBL11049210 0.89 CYP19A1 (0.38) HRH4HRH3FADS1ARL3MBTL1
SCHEMBL11046135 0.88 HRH3 (0.45) HRH4HRH3ARLMNATP53
SCHEMBL11043928 0.84 CHRM2 (0.41) SIGMAR1CHRM2
SCHEMBL11042908 0.84 CHRM2 (0.41) SIGMAR1CHRM2
SCHEMBL11043930 0.84 CHRM2 (0.41) SIGMAR1CHRM2
SCHEMBL11042094 0.82 HTR2C (0.47) HRH4HRH3ARLMNATP53

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