SCHEMBL20152444

SCHEMBL20152444

CCCCCCCCCCCCC(CCCCCCCCCC)COCCN(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CNR2 P34972 2/20 0.38
TSHR P16473 1/20 0.37
KCNH2 Q12809 3/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 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
SCHEMBL19420447 0.88 CNR2 (0.37) PRSS1PRSS2PRSS3CNR2TSHR
SCHEMBL11652999 0.79 TSHR (0.46) CNR2TSHRKCNH2ALDH1A1TAAR1
SCHEMBL20382108 0.79 KCNH2 (0.33) CNR2TSHRKCNH2CSNK1E
SCHEMBL20160931 0.78 TSHR (0.44) CNR2TSHRKCNH2NPC1RAB9A
SCHEMBL11507076 0.77 TSHR (0.53) CNR2TSHRNPC1RAB9ACYP3A4
SCHEMBL10524521 0.76 LTA4H (0.42) CNR2TSHRKCNH2NPC1JAK2
SCHEMBL7931309 0.76 TSHR (0.48) CNR2TSHRNPC1RAB9ATAAR1
SCHEMBL8065394 0.76 TSHR (0.52) CNR2TSHRKCNH2NPC1JAK2
SCHEMBL16294617 0.76 TSHR (0.52) CNR2TSHRKCNH2NPC1JAK2
SCHEMBL4342408 0.76 TSHR (0.52) CNR2TSHRKCNH2NPC1JAK2

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
US-20180137984-A1 SOLID STATE ENERGY STORAGE DEVICE CAPACITOR SCIENCES INCORPORATED 2018-05-17 US disclosed