SCHEMBL614332

SCHEMBL614332

C=C(C)c1ccc(C)cc1N1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MCL1 Q07820 1/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
SLC18A3 Q16572 1/20 0.38

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
SCHEMBL23981784 0.98 PAX8 (0.41) PAX8RECQLRAB9AMAPTTP53
SCHEMBL23981588 0.85 PAX8 (0.44) PAX8RECQLRAB9AMAPTTP53
SCHEMBL23946188 0.83 FFAR4 (0.45) ALDH1A1KMT2ATSHRHTTMEN1
SCHEMBL6646771 0.80 GAA (0.51) PAX8RECQLRAB9AMAPTTP53
SCHEMBL6646051 0.80 GAA (0.51) PAX8RECQLRAB9AMAPTTP53
SCHEMBL6643603 0.78 GAA (0.49) PAX8RECQLRAB9AMAPTALDH1A1
SCHEMBL23735688 0.75 NPC1 (0.56) MAPTALDH1A1GAAKMT2AGLA
SCHEMBL12653607 0.75 LMNA (0.46) PAX8RECQLRAB9AMAPTTP53
SCHEMBL16727174 0.74 SLC18A3 (0.55) MAPTTP53ALDH1A1MCOLN3KMT2A
SCHEMBL6646660 0.74 KDM4E (0.54) PAX8RECQLRAB9AMAPTALDH1A1

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
US-8367765-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-05 US disclosed
US-20120041135-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed