SCHEMBL2790001

SCHEMBL2790001

CCCCCc1ccc(C=CC2(C=Cc3ccc(CCCCC)cc3)CC=C(c3cccs3)S2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.35
SPHK2 Q9NRA0 1/20 0.35
THRA P10827 5/20 0.33
THRB P10828 5/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
TRPA1 O75762 1/20 0.33
TRPM2 O94759 1/20 0.33
PLA2G1B P04054 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
TNNC1 P63316 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31

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
SCHEMBL30537737 0.69 KDM4E (0.36) MEN1KMT2AESR1KDM4EALDH1A1
SCHEMBL2790000 0.68 SPHK2 (0.34) SPHK1SPHK2THRATHRBCYSLTR2
SCHEMBL15071803 0.67 LTA4H (0.56) LMNAMEN1KMT2AESR1ADRA2A
SCHEMBL6417507 0.67 LTA4H (0.56) LMNAMEN1KMT2AESR1ADRA2A
SCHEMBL1102349 0.67 LTA4H (0.56) LMNAMEN1KMT2AESR1ADRA2A
SCHEMBL28592388 0.67 KDM4E (0.35) MEN1KMT2AESR1KDM4EALDH1A1
SCHEMBL28407056 0.67 KDM4E (0.35) MEN1KMT2AESR1KDM4EALDH1A1
SCHEMBL28707668 0.65 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL29061701 0.65 KDM4E (0.36) THRBMEN1KMT2AKDM4EALDH1A1
SCHEMBL7539291 0.64 CYSLTR2 (0.53) SPHK1SPHK2CYSLTR2CYSLTR1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933394-B1 Thiophene electronic devices SAMSUNG ELECTRONICS CO LTD (KR) 2019-06-26 EP disclosed
US-7718998-B2 Thiophene electronic devices XEROX CORPORATION (US) 2010-05-18 US disclosed
US-20080146776-A1 Thiophene electronic devices XEROX CORPORATION 2008-06-19 US disclosed
EP-1933394-A2 Thiophene electronic devices Xerox Corporation (US) 2008-06-18 EP disclosed