SCHEMBL9830892

SCHEMBL9830892

[CH]=Cc1ccc(CC(CC)CCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 2/20 0.36
CA2 P00918 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CTSK P43235 4/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
CTSH P09668 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
SCHEMBL153634 0.86 BDKRB2 (0.48) BDKRB2LMNAALDH1A1TDP1TSHR
SCHEMBL489052 0.83 BDKRB2 (0.39) BDKRB2LMNAALDH1A1TDP1TSHR
SCHEMBL9490700 0.83 ALDH1A1 (0.41) BDKRB2LMNAALDH1A1TDP1TSHR
SCHEMBL6269818 0.79 BDKRB2 (0.41) BDKRB2LMNAALDH1A1TDP1TSHR
Formic Acid SCHEMBL28247722 0.79 ALDH1A1 (0.44) BDKRB2LMNAALDH1A1TDP1TSHR
SCHEMBL1033135 0.79 BDKRB2 (0.43) BDKRB2ALDH1A1TDP1TSHRGLA
SCHEMBL10492540 0.78 LMNA (0.40) BDKRB2LMNAALDH1A1TDP1TSHR
SCHEMBL19717803 0.78 ALDH1A1 (0.41) BDKRB2LMNAALDH1A1TDP1TSHR
SCHEMBL15736896 0.78 BDKRB2 (0.52) BDKRB2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL3704832 0.77 ALDH1A1 (0.45) BDKRB2ALDH1A1TDP1TSHRGLA

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-0304613-B1 BENZOPYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
US-4958021-A PRESSURE AND HEAT SENSITIVE RECORDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1990-09-18 US disclosed
EP-0304613-A1 Benzopyran derivatives BASF Aktiengesellschaft (DE) 1989-03-01 EP disclosed