SCHEMBL29156641

SCHEMBL29156641

CCCCCCC(CCCC)Cc1ccc(CC(CC)CCCC)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 3/20 0.37
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DNM1 Q05193 1/20 0.33
CSNK1E P49674 1/20 0.33
NR1I2 O75469 1/20 0.33
BDKRB2 P30411 1/20 0.33

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
SCHEMBL18782959 0.95 LMNA (0.42) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL18066726 0.93 ALDH1A1 (0.43) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL27926938 0.93 LMNA (0.43) PRSS1PRSS2PRSS3LMNADNM1
SCHEMBL29156640 0.88 LMNA (0.37) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL24198942 0.88 ALDH1A1 (0.39) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL18590812 0.85 PRMT6 (0.38) PRSS1PRSS2PRSS3LMNATSHR
SCHEMBL22361407 0.85 LMNA (0.37) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL31424087 0.84 LMNA (0.39) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL28885863 0.83 LMNA (0.36) PRSS1PRSS2PRSS3LMNATSHR
SCHEMBL17051016 0.83 PRMT6 (0.39) ALDH1A1LMNATDP1TSHRL3MBTL1

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
CN-117534818-A Polymer donor of non-fullerene organic solar cell, and preparation method and application thereof 中国长江三峡集团有限公司 2024-02-09 CN disclosed