SCHEMBL2127294

SCHEMBL2127294

CCCCCc1c(CCC)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.46
TLR8 Q9NR97 4/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
GAA P10253 6/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
GLA P06280 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL2127742 0.95 NCEH1 (0.50) NCEH1ATMHSD17B10CYP1A2CYP2C19
SCHEMBL6919402 0.95 NCEH1 (0.47) NCEH1TLR8HSD17B10CYP1A2CYP2C19
SCHEMBL234512 0.93 TYR (0.47) NCEH1TLR8HSD17B10CYP1A2CYP2C19
SCHEMBL283786 0.93 TYR (0.47) NCEH1TLR8HSD17B10CYP1A2CYP2C19
SCHEMBL236078 0.93 TYR (0.47) NCEH1TLR8HSD17B10CYP1A2CYP2C19
SCHEMBL284699 0.93 TYR (0.47) NCEH1TLR8HSD17B10CYP1A2CYP2C19
SCHEMBL11381159 0.93 TYR (0.47) NCEH1TLR8HSD17B10CYP1A2CYP2C19
SCHEMBL734929 0.93 TYR (0.47) NCEH1TLR8HSD17B10CYP1A2CYP2C19
SCHEMBL10800999 0.93 NCEH1 (0.46) NCEH1TLR8HSD17B10CYP1A2CYP2C19
SCHEMBL7123136 0.93 NCEH1 (0.49) NCEH1TLR8HSD17B10CYP1A2CYP2C19

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
US-20120096878-A1 Refrigeration Circuit and Method for Improving Same SANDEN CORPORATION (JP) 2012-04-26 US disclosed
EP-2444469-A1 REFRIGERATION CIRCUIT AND METHOD FOR IMPROVING SAME Sanden Corporation (JP) 2012-04-25 EP disclosed
US-4900717-A USEFUL IN THE PREPARATION OF NAPHTHALENEDICARBOXYLIC ACID/2,6-/ RUTGERSWERKE AG (DE) 1990-02-13 US disclosed
US-4900717-A USEFUL IN THE PREPARATION OF NAPHTHALENEDICARBOXYLIC ACID/2,6-/ RUTGERSWERKE AG (DE) 1990-02-13 US disclosed