SCHEMBL28041717

SCHEMBL28041717

C#Cc1ccc(C#C)c(OCCCCCCCC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
NR5A1 Q13285 1/20 0.40
CHUK O15111 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
BLK P51451 1/20 0.40
RPS6KA3 P51812 1/20 0.40
JAK3 P52333 1/20 0.40
LIMK1 P53667 1/20 0.40
PRKCZ Q05513 1/20 0.40

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
SCHEMBL2851634 0.88 ALDH1A1 (0.48) ALDH1A1HPGDNR5A1CHUKDAPK3
SCHEMBL3758134 0.87 CHUK (0.44) ALDH1A1HPGDNR5A1CHUKDAPK3
SCHEMBL28748440 0.87 CHUK (0.44) ALDH1A1HPGDNR5A1CHUKDAPK3
SCHEMBL29607397 0.87 CHUK (0.44) ALDH1A1HPGDNR5A1CHUKDAPK3
SCHEMBL27934483 0.85 ALDH1A1 (0.47) ALDH1A1HPGDKMT2ATSHRTP53
SCHEMBL2832284 0.83 ALDH1A1 (0.44) ALDH1A1HPGDNR5A1CHUKDAPK3
SCHEMBL3267005 0.83 ALDH1A1 (0.44) ALDH1A1HPGDNR5A1CHUKDAPK3
SCHEMBL3768573 0.83 ALDH1A1 (0.44) ALDH1A1HPGDNR5A1CHUKDAPK3
SCHEMBL766704 0.83 ALDH1A1 (0.44) ALDH1A1HPGDNR5A1CHUKDAPK3
SCHEMBL24819416 0.82 ALDH1A1 (0.40) ALDH1A1HPGDNR5A1CHUKDAPK3

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
CN-103554443-B Poly-(phenylacetylene support)-Phthalocyanine Zinc polymkeric substance with optical limitation and its preparation method and application INST. OF CHEMICAL MATERIAL, CHINESE INST. OF ENGINEERING PHYSICS (CN) 2015-12-09 CN claimed
CN-103554443-B Poly-(phenylacetylene support)-Phthalocyanine Zinc polymkeric substance with optical limitation and its preparation method and application INST. OF CHEMICAL MATERIAL, CHINESE INST. OF ENGINEERING PHYSICS (CN) 2015-12-09 CN disclosed