SCHEMBL28049977

SCHEMBL28049977

CCCCCCPc1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
LIPG Q9Y5X9 1/20 0.34
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACHE P22303 1/20 0.33
DNM1 Q05193 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL28050019 1.00 P2RX7 (0.37) P2RX7ALDH1A1TP53LIPGTSHR
SCHEMBL27534154 0.92 TSHR (0.36) P2RX7ALDH1A1TP53TSHRHTT
SCHEMBL8999868 0.92 ACHE (0.39) ALDH1A1TSHRHTTACHE
SCHEMBL9493006 0.86 TSHR (0.41) ALDH1A1TSHRHTTCYP1A2ACHE
SCHEMBL28045054 0.85 CNR1 (0.37) P2RX7ALDH1A1TP53HTTKCNH2
SCHEMBL28045144 0.85 CNR1 (0.37) P2RX7ALDH1A1TP53HTTKCNH2
SCHEMBL7558656 0.84 ACHE (0.39) ALDH1A1TSHRHTTACHE
SCHEMBL28227589 0.83 TLR8 (0.35) P2RX7ALDH1A1TSHRKCNH2MAPK1
SCHEMBL9441833 0.81 TSHR (0.45) ALDH1A1TSHRHTTCYP1A2ACHE
SCHEMBL3286959 0.79 EPHX2 (0.37) ALDH1A1KCNH2EPHX2

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
CN-105163853-B The manufacturing method of cyclic carbonate catalyst for synthesizing 丸善石油化学株式会社 2018-06-12 CN disclosed
CN-105163853-A Method for manufacturing catalyst for synthesizing cyclic carbonate MARUZEN PETROCHEM CO LTD 2015-12-16 CN disclosed