SCHEMBL6249409

SCHEMBL6249409

C1=CC=C(Cc2ccccc2)OC=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
LMNA P02545 1/20 0.33
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LTA4H P09960 1/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
IDH1 O75874 1/20 0.31
HTR2A P28223 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CTRC Q99895 3/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL1683372 0.72 CALM1 (0.42) CALM1BCL2BCL2L1TDP1ALDH1A1
SCHEMBL184435 0.71 CALM1 (0.46) CALM1BCL2BCL2L1TDP1ALDH1A1
SCHEMBL7723121 0.71 CALM1 (0.58) CALM1BCL2BCL2L1ALDH1A1LTA4H
SCHEMBL2997577 0.67 CALM1 (0.41) CALM1LMNABCL2BCL2L1TDP1
SCHEMBL694984 0.65 AKR1B1 (0.32)
SCHEMBL14941759 0.64 CALM1 (0.55) CALM1BCL2BCL2L1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL10924546 0.64 AKR1B1 (0.31)
SCHEMBL2637453 0.64 CALM1 (0.48) CALM1LMNABCL2BCL2L1ALDH1A1
SCHEMBL29824274 0.64
Diphenylmethane SCHEMBL1303 0.64 CALM1 (1.00) CALM1LMNABCL2BCL2L1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005044255-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2005-05-19 WO claimed