SCHEMBL9301477

SCHEMBL9301477

COCC(Oc1ccccc1)OC(COC)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.41
LMNA P02545 1/20 0.39
KCNA3 P22001 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A4 P31645 1/20 0.37
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
LTA4H P09960 2/20 0.35
HTR1B P28222 2/20 0.35
HTR1D P28221 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
SCN4A P35499 2/20 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
SCHEMBL10359634 0.88 CA4 (0.41) CA4LMNAKCNA3MAPTSLC6A4
SCHEMBL11300899 0.78 TSHR (0.41) CA4LMNAKCNA3MAPTSLC6A4
SCHEMBL6437044 0.78 CA4 (0.44) CA4LMNAKCNA3MAPTSLC6A4
SCHEMBL13941995 0.77 MTNR1A (0.49) CA4LMNAKCNA3MAPTMAOA
SCHEMBL19586897 0.75 SCN4A (0.42) CA4LMNAKCNA3MAPTSLC6A4
SCHEMBL9617073 0.75 CA4 (0.41) CA4LMNASLC6A4MAOAPTGS1
SCHEMBL29208317 0.75 LMNA (0.48) CA4LMNAKCNA3MAPTMTNR1A
SCHEMBL10596081 0.75 SLC6A4 (0.41) CA4LMNASLC6A4MTNR1AMTNR1B
SCHEMBL9343835 0.74 CA1 (0.50) MAPTSLC6A4MTNR1AMTNR1BTSHR
SCHEMBL11143140 0.74 CA4 (0.44) CA4LMNAKCNA3MAPTSLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292712-A Salt of a bisphenol carboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
EP-0525535-A1 Thermoreactive recording material with improved stability BAYER AG (DE) 1993-02-03 EP disclosed