SCHEMBL20187243

SCHEMBL20187243

[C]#CC(C)CCCCCCC#C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HLCS P50747 2/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL16288516 0.77 USP2 (0.47) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL9205300 0.77 USP2 (0.47) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL28346220 0.75 USP2 (0.39) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL7628906 0.75 OPRM1 (0.44)
SCHEMBL383851 0.75 OPRM1 (0.44)
SCHEMBL1313662 0.74
SCHEMBL60063 0.74 SMN1; SMN2 (0.38) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL60155 0.74 SMN1; SMN2 (0.38) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL9712203 0.73 USP2 (0.53) USP2CYP3A4SMN1; SMN2MAPTALDH1A1
SCHEMBL15541982 0.73 OPRM1 (0.48) USP2CYP3A4SMN1; SMN2MAPTALDH1A1

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-10835847-B2 Polymeric membranes for separation of gases OHIO STATE INNOVATION FOUNDATION (US) 2020-11-17 US disclosed
US-20180147513-A1 POLYMERIC MEMBRANES FOR SEPARATION OF GASES UNITED STATES DEPARTMENT OF ENERGY 2018-05-31 US disclosed