SCHEMBL16625901

SCHEMBL16625901

CCN(CC)CC(C)CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL20825776 0.85 PLA2G1B (0.32) PLA2G1BPLA2G2AALDH1A1
SCHEMBL9407523 0.82 PLA2G1B (0.37) PLA2G1BPLA2G2A
SCHEMBL5948506 0.77 PLA2G1B (0.34) PLA2G1BPLA2G2ATSHR
SCHEMBL3646044 0.76 PIK3CD (0.30)
SCHEMBL806005 0.76
SCHEMBL16625900 0.74 TSHR (0.38) PLA2G1BPLA2G2ATSHR
SCHEMBL16625905 0.74 PLA2G1B (0.30) PLA2G1BPLA2G2A
Hydrochloric Acid SCHEMBL11597307 0.73 CYP1A2 (0.43) PLA2G1BPLA2G2AMAPK1
SCHEMBL3106003 0.72 TSHR (0.43) PLA2G1BPLA2G2ATSHR
SCHEMBL9032477 0.72 PLA2G1B (0.37) PLA2G1BPLA2G2AALDH1A1

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
WO-2015050471-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed
WO-2015050472-A1 FUSED INDOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed