SCHEMBL6252229

SCHEMBL6252229

CCCCCC[C@H](C)CBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
OPRM1 P35372 1/20 0.46
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
DNM1 Q05193 2/20 0.42
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
PLA2G1B P04054 1/20 0.40
PLA2G2A P14555 1/20 0.40
FAAH O00519 3/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL1002211 1.00 ACE2 (0.48) ACE2OPRM1SPHK1LMNATSHR
SCHEMBL10745637 1.00 ACE2 (0.48) ACE2OPRM1SPHK1LMNATSHR
SCHEMBL28583557 1.00 ACE2 (0.48) ACE2OPRM1SPHK1LMNATSHR
SCHEMBL28719389 1.00 ACE2 (0.48) ACE2OPRM1SPHK1LMNATSHR
SCHEMBL6252233 1.00 ACE2 (0.48) ACE2OPRM1SPHK1LMNATSHR
SCHEMBL31187956 1.00 ACE2 (0.48) ACE2OPRM1SPHK1LMNATSHR
SCHEMBL28583556 1.00 ACE2 (0.48) ACE2OPRM1SPHK1LMNATSHR
SCHEMBL16408961 1.00 ACE2 (0.48) ACE2OPRM1SPHK1LMNATSHR
SCHEMBL15687625 1.00 ACE2 (0.48) ACE2OPRM1SPHK1LMNATSHR
SCHEMBL16863709 1.00 ACE2 (0.48) ACE2OPRM1SPHK1LMNATSHR

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-1088842-B1 OPTICALLY ACTIVE POLYTHIOPHENE JAPAN SCIENCE & TECH AGENCY (JP) 2005-09-07 EP disclosed
US-6878801-B2 Optically active polythiophenes JAPAN SCIENCE AND TECHNOLOGY (JP) 2005-04-12 US disclosed
US-20030135021-A1 Optically active polythiophenes FUJIKI MICHIYA (JP) 2003-07-17 US disclosed
EP-1088842-A1 OPTICALLY ACTIVE POLYTHIOPHENE Japan Science and Technology Corporation (JP) 2001-04-04 EP disclosed