SCHEMBL8538587

SCHEMBL8538587

NN=CNc1cc(C(=O)C=C(C(=O)ON)c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
MAOB P27338 1/20 0.34
KCNK3 O14649 1/20 0.34
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KAT6A Q92794 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR1 P25103 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACP1 P24666 1/20 0.32

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
SCHEMBL8538589 0.74 P2RX1 (0.41) P2RX1AKR1C3AKR1C2KMT2AMAPT
SCHEMBL8701056 0.69 AKR1C3 (0.37) P2RX1AKR1C3AKR1C2KMT2AMAPT
SCHEMBL8538615 0.67 RXFP1 (0.40) MAOBKCNK3
SCHEMBL8538088 0.67 P2RX1 (0.38) P2RX1AKR1C3AKR1C2KMT2AMAPT
SCHEMBL8542419 0.67 PTGIR (0.38) P2RX1AKR1C3AKR1C2MAPTLMNA
SCHEMBL7498527 0.66 HDAC3 (0.48) P2RX1LMNARHOCRHOAMAOB
SCHEMBL27496439 0.65 CYP1A1 (0.51) KMT2AMAPTLMNACYP1A2NPC1
SCHEMBL8542592 0.65 P2RX1 (0.37) P2RX1AKR1C3AKR1C2RHOCRHOA
SCHEMBL8535813 0.64 TAS2R14 (0.36) P2RX1KMT2ARHOCRHOATRPA1
SCHEMBL19657964 0.64 NPC1 (0.64) P2RX1AKR1C3AKR1C2KMT2AMAPT

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed