SCHEMBL9250450

SCHEMBL9250450

CCCCCCCCCCOc1ccc(C(Cl)Cl)cc1OCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.43
CALM1 P0DP23 1/20 0.42
CHUK O15111 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
BLK P51451 1/20 0.42
RPS6KA3 P51812 1/20 0.42
JAK3 P52333 1/20 0.42
LIMK1 P53667 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42

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
SCHEMBL9254321 0.93 CALM1 (0.47) CALM1ESR1
SCHEMBL11658632 0.81 SLC2A1 (0.46) SMPD1CALM1CHUKDAPK3JAK2
SCHEMBL10899758 0.79 ALDH1A1 (0.43) CALM1CHUKDAPK3JAK2ROCK2
SCHEMBL14495326 0.79 CALM1 (0.50) CALM1ALDH1A1HPGD
SCHEMBL11315398 0.79 LMNA (0.53) SMPD1ALDH1A1HPGDPTPN11S1PR3
SCHEMBL28319408 0.78 PTPN11 (0.55) SMPD1CHUKDAPK3JAK2ROCK2
SCHEMBL2856448 0.78 PTPN11 (0.55) SMPD1CHUKDAPK3JAK2ROCK2
SCHEMBL13957128 0.78 PTPN11 (0.55) SMPD1CHUKDAPK3JAK2ROCK2
SCHEMBL1776071 0.78 PTPN11 (0.55) SMPD1CHUKDAPK3JAK2ROCK2
SCHEMBL24866002 0.78 SMPD1 (0.41) SMPD1CALM1CHUKDAPK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5432237-A Radically polymerizable composition SHOWA DENKO K.K. (JP) 1995-07-11 US disclosed
EP-0399463-B1 Radically polymerizable composition SHOWA DENKO KK (JP) 1994-02-23 EP disclosed
EP-0399463-A2 Radically polymerizable composition SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-11-28 EP disclosed