SCHEMBL9768399

SCHEMBL9768399

CC(C)(C[N+](=O)[O-])c1cccc(C(C)(C)C[N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.39
LMNA P02545 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TSHR P16473 3/20 0.35
ACHE P22303 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
FBP1 P09467 2/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HDAC4 P56524 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
SCHEMBL10950133 0.86 TAAR1 (0.48) LMNAMAPK1FBP1ALDH1A1TAAR1
SCHEMBL27479602 0.80 ACHE (0.39) PTPRCLMNATSHRACHEALDH1A1
SCHEMBL20527150 0.77 CHRNA1 (0.37) LMNANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL10385744 0.74 TDP1 (0.41) LMNANPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL9768400 0.73 CYP2C19 (0.48) LMNAMAPK1FBP1ALDH1A1TAAR1
SCHEMBL8812133 0.73 CA2 (0.47) SMN1; SMN2TSHRALDH1A1TDP1GPR35
SCHEMBL3077509 0.73 SMN1; SMN2 (0.44) LMNASMN1; SMN2TSHRALDH1A1GPR35
SCHEMBL7823975 0.72 FBP1 (0.39) LMNASMN1; SMN2MAPK1TSHRACHE
SCHEMBL26929273 0.71 CYP2C19 (0.44) PTPRCLMNAESR1ESR2ALDH1A1
SCHEMBL18855195 0.71 PTPRC (0.56) PTPRCLMNANPC1RAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992527-A Heat resistance, protective coatings, electronics AMOCO CORPORATION (US) 1991-02-12 US disclosed
US-4973659-A HEAR RESISTANT FILMS, FIBERS, COMPOSITES AMOCO CORPORATION (US) 1990-11-27 US disclosed
US-4973660-A Polyamide of diamino-t-butyltoluene AMOCO CORPORATION (US) 1990-11-27 US disclosed
US-4968780-A SOLUBLE IN N-METHYLPYRROLIDONE, HIGH GLASS TRANSITION TEMPERATURE, HEAT RESISTANT FILMS, FIBERS AND COMPOSITES AMOCO CORPORATION (US) 1990-11-06 US disclosed
US-4963648-A SOLVENT-SOLUBLILITY; HEAT RESISTANCE; FILMS, FIBERS, COMPOSITES; ELECTRICAL APPARATUS; AROMATIC POLYAMIDES AMOCO CORPORATION (US) 1990-10-16 US disclosed